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Es muss sein
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smutao

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wangshuai_xx: ½ð±Ò+2, ¡ï¡ï¡ïºÜÓаïÖú 2014-05-06 18:41:05
ÔÂÖ»À¶: ½ð±Ò+1, ¸Ðлָµ¼£¡ 2014-05-16 18:56:38
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2Â¥2014-05-06 18:37:02
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wangshuai_xx

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Es muss sein
3Â¥2014-05-06 18:41:36
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smutao

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4Â¥2014-05-06 18:45:21
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wangshuai_xx

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ÒýÓûØÌû:
2Â¥: Originally posted by smutao at 2014-05-06 18:37:02
write a script using catdcd or ptraj to make a contiuous trajectory

ÊDz»ÊÇÀûÓÃVMDµÄTK console£¿
Es muss sein
5Â¥2014-05-06 18:47:35
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smutao

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6Â¥2014-05-06 18:49:28
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wangshuai_xx

Òø³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
6Â¥: Originally posted by smutao at 2014-05-06 18:49:28
no. google "catdcd "
and it is better if you are using Linux and know something on Bash Shell...

Danke£¡  I am using linux, but only a beginner.
Es muss sein
7Â¥2014-05-06 19:01:18
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smutao

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8Â¥2014-05-06 19:10:41
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wangshuai_xx

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ÎÒÑо¿ÁËһϣ¬ÒѾ­ÖªµÀCatDCDÔõôÔËÐеÄÁË¡£¿´ÁËËûµÄÀý×Ó£¬ºÍsyntax£º
catdcd -o outputfile [-otype <filetype>] [-i indexfile]
      [-stype <filetype>] [-s structurefile]
      [-first firstframe] [-last lastframe] [-stride stride]
      [-<filetype>] inputfile1 [-<filetype>] inputfile2 ...
ÎÒÏÖÔÚÓÐ600¸ö¡Á.lammpstrjÎļþ¡£ÎÒÏë°ÑÕ⼸¸öºÏ²¢È»ºóµ¼Èëµ½VMDµ±ÖУ¬ÎÒÔÚCatDCDÎļþ¼ÐÏ´ò¿ªÖÕ¶Ë È»ºóÊäÈ룺
CODE:
./catdcd -o -otype <lammpstrj> all.lammpstrj -first 1 -last 600 -stride 1 60000.lammpstrj 61000.lammpstrj

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60000.lammpstrj
61000.lammpstrj
...
660000.lammpstrj
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Es muss sein
9Â¥2014-05-06 22:06:51
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wangshuai_xx

Òø³æ (³õÈëÎÄ̳)

ÒýÓûØÌû:
8Â¥: Originally posted by smutao at 2014-05-06 19:10:41
cute girl...

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Es muss sein
10Â¥2014-05-06 22:07:09
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