Znn3bq.jpeg
²é¿´: 3063  |  »Ø¸´: 12
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

jeeanlee

ľ³æ (ÕýʽдÊÖ)

[½»Á÷] ¡¾ÇóÖú¡¿discoverÄ£¿éÖÐÎÞ·¨typing´¿Ti½ðÊôµÄforcefield£¬Çë½Ì¸ßÊÖ¡£

ÔÚMS4.3ÖУ¬ÏÈimport´¿Ti½ðÊô¾§¸ñTi.msi£¬ÔÚdiscoverÄ£¿éÖУ¬µã¿ªdiscover setup¶Ô»°¿ò£¬µã»÷typingÑ¡Ï£¬µ¥»÷calculate°´Å¥£¬¶Ô´¿Ti½ðÊô¾§¸ñ½øÐÐtyping forcefield£¬½á¹û±¨´í£¬µ¯³öÒ»ÌáʾÐÅÏ¢ÈçÏ£º
    Error : The forcefield Type calculation failed.

       The last error reported was:

       The typing engine has failed to calculate a forcefield type for 1 atom.
       The charging engine has failed to calculate a charge for 1 atoms.

       Press Yes to select atoms that have not been typed.
       Press No to carry on


ÇëÎʸßÊÖ£¬ÈçºÎ¶Ô´¿½ðÊôTi½øÐÐtyping forcefield£¿

´ËÍ⣬ÔÚËùÓÐforcefield typesÁбíÖв¢Ã»Óд¿Ti½ðÊôµÄÁ¦³¡£¬ÎÞ·¨Ê¹ÓÃassign°´Å¥ÊÖ¹¤Ö±½ÓÖ¸¶¨Á¦³¡¡£



»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

·Ö×ÓÄ£Äâ

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÌÆÁê¾ÓÊ¿

ľ³æ (СÓÐÃûÆø)

½ð³æ

¡ï
jeeanlee(½ð±Ò+1): лл²ÎÓë
ÒýÓûØÌû:
9Â¥: Originally posted by yxl7016 at 2010-09-29 11:53:44
¶Ôѽ ÕâÊÇʲôԭÒòѽ£¿ÎÒÒ²Óöµ½¹ýÕâÑùµÄÎÊÌ⣬¼ÆËã½ðÊô»òÕߺϽ𶼻á³öÏÖÄÇÑùµÄ¶Ô»°¿ò£¬»¹²»ÖªÈçºÎ½â¾ö£¿¶¥Ìû×Ó£¬Ï£Íû¸ßÊÖ¼ÌÐøÖ¸µ¼£¿ÊÇdiscover£¿²»ÄÜÄ£Äâ½ðÊô»òÕߺϽðÌåϵÂð

ÇëÎÊÄã½â¾öÕâ¸öÎÊÌâÁËÂð£¿ÎÒÏÖÔÚÒ²Óöµ½ÕâÖÖÎÊÌâÁË
¾²¶øºóÄܶ¨£¬¶¨¶øºóÄܰ²
10Â¥2015-11-19 20:24:46
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 13 ¸ö»Ø´ð

jeeanlee

ľ³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
Originally posted by wgw1987come at 2010-09-12 11:59:40:
ÖØÐ´ò¿ª¡£

¶þÂ¥"ÖØÐ´ò¿ª"ºÎ½â,¿É·ñ·³ÇëÏê½â¡£
3Â¥2010-09-12 12:20:53
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ynmyx

ÖÁ×ðľ³æ (Ö°Òµ×÷¼Ò)

¡ï ¡ï
jeeanlee(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+1):лл½»Á÷ 2010-09-13 08:08:48
ÖØÐÂÆô¶¯ºóÔÙÊÔÊÔ
......±ðÈËЦÎÒÌ«·èñ²£¬ÎÒЦËûÈË¿´²»´©£»²»¼ûÎåÁêºÀ½ÜĹ£¬ÎÞ»¨Î޾Ƴú×÷Ì
4Â¥2010-09-12 13:17:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qasd

ľ³æ (ÖøÃûдÊÖ)

¡ï ¡ï
jeeanlee(½ð±Ò+1):лл²ÎÓë
zzy870720z(½ð±Ò+1):ллÌáʾ 2010-09-13 08:08:57
ËùÓÐÁ¦³¡¶¼ÊÔ¹ýô£¿¶¼Ã»ÓоͲ»ÄÜÓÃdiscoverÁË
5Â¥2010-09-12 15:11:11
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£ÖÝ´óѧ 22408 305·ÖÇóµ÷¼Á +5 °²Ð¡Âúzzz 2026-04-08 5/250 2026-04-12 00:41 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 312Çóµ÷¼Á +6 Àîºè·É·É 2026-04-06 6/300 2026-04-12 00:34 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 310Çóµ÷¼Á +10 666ÕæºÃ 2026-04-11 11/550 2026-04-11 23:09 by 852137818
[¿¼ÑÐ] Çóµ÷¼Á +13 ÕÅ·¬ÇѲ»³´µ° 2026-04-10 14/700 2026-04-11 16:02 by vgtyfty
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á£¡ +35 RichLi_ 2026-04-06 35/1750 2026-04-11 11:02 by zhq0425
[¿¼ÑÐ] 085404 293Çóµ÷¼Á +9 ÓÂÔ¶¿â°®314 2026-04-06 10/500 2026-04-11 10:36 by ×ÏêØ×ÏÆå
[¿¼ÑÐ] ũҵ¹ÜÀí302·ÖÇóµ÷¼Á +3 xuening1 2026-04-10 3/150 2026-04-11 10:18 by zhq0425
[¿¼ÑÐ] ÖпÆÔº×Ü·Ö315Çóµ÷¼Á +8 lallalh 2026-04-09 8/400 2026-04-10 19:30 by dick_runner
[¿¼ÑÐ] 293µ÷¼Á +25 yj1221 2026-04-08 26/1300 2026-04-10 15:02 by ²ñС°×
[¿¼ÑÐ] 292Çóµ÷¼Á +9 ЦЦԬ 2026-04-09 9/450 2026-04-10 10:05 by LHGeng
[¿¼ÑÐ] ¿¼Ñе÷¼Á-²ÄÁÏÀà-284 +28 Ïë»»ÊÖ»ú²»Ïë½âÊ 2026-04-08 28/1400 2026-04-09 20:08 by µ¹Êý321?
[¿¼ÑÐ] Ò»Ö¾Ô¸¹þ¹¤´ó£¬³õÊÔ329£¬Çó»·¾³¿ÆÑ§Ó빤³Ìµ÷¼Á£¡ +11 ÓàδÐÁ 2026-04-06 11/550 2026-04-08 15:21 by screening
[¿¼ÑÐ] Çóµ÷¼Á +15 ÐܶþÏëÉϰ¶ 2026-04-06 15/750 2026-04-08 04:53 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ÉúÎïѧ363µ÷¼ÁÇóÖú +7 fanzhang6666 2026-04-06 9/450 2026-04-07 17:37 by lijunpoly
[¿¼ÑÐ] 085602µ÷¼Á ³õÊÔ×Ü·Ö335 +10 19123253302 2026-04-05 10/500 2026-04-07 15:23 by СÇÇͬѧya
[¿¼ÑÐ] Ò»Ö¾Ô¸Î人Àí¹¤´óѧ080200»úе¹¤³Ì308·Ö£¬Çóµ÷¼Á +4 ÖÕ²»ËÆ´Óǰ 2026-04-05 4/200 2026-04-06 11:46 by ¿¼ÑÐѧУÕеãÈË
[¿¼ÑÐ] Çóµ÷¼Á +7 ÕÅ.1 2026-04-05 7/350 2026-04-05 20:40 by à£à£à£0119
[¿¼ÑÐ] 348Çóµ÷¼Á +3 ³µÀå×Ózzz 2026-04-05 3/150 2026-04-05 20:30 by à£à£à£0119
[¿¼ÑÐ] 308Çóµ÷¼Á +3 ÖÕ²»ËÆ´Óǰ 2026-04-05 3/150 2026-04-05 20:07 by à£à£à£0119
[¿¼ÑÐ] 326Çóµ÷¼Á +3 ¹ËÈô¸¡Éú 2026-04-05 3/150 2026-04-05 18:32 by À¶ÔÆË¼Óê
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û