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iamback2011

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
10Â¥: Originally posted by upcÄÂÄþ at 2015-01-28 09:10:01
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11Â¥2015-01-28 10:13:44
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upcÄÂÄþ

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ÒýÓûØÌû:
11Â¥: Originally posted by iamback2011 at 2015-01-28 10:13:44
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12Â¥2015-01-28 11:03:45
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iamback2011

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
12Â¥: Originally posted by upcÄÂÄþ at 2015-01-28 11:03:45
ÎÒÖ±½Ó·ÅÆúÁË...

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13Â¥2015-01-28 14:33:52
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iamback2011

Í­³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by cg³Â at 2013-12-29 23:09:28
±ÈÈçÄã»­ºÃË®·Ö×Ó ±ÈÈçÔÚdiscoverµÄdynamicsÖÐÑ¡Ôñfile È»ºósavefile
  ½ô½Ó×ÅÄãÕÒµ½¸Ã·Ö×ÓµÄÄ¿±êÎļþ¼Ð£¨ÔÚÓ²ÅÌÉÏ£©£¬ÀïÃæ¾ÍÓиö.carÎļþ ÄãÓÃeditplus´ò¿ª±à¼­
ʣϾÍÊÇ£º
    ¹ØÓÚË®·Ö×ӵIJ¿·Ö°´ÕÕÈçÏ·½Ê½ ...

ÄãºÃ£¬ÎÒ×î½ü²Å¿ªÊ¼×öˮģÄ⣬ҲÓöµ½Õâ¸öÎÊÌâÁË£¬ÎÒ°´ÕÕÄãµÄÌáʾ×öÁËÒ»¸ö10¸öË®·Ö×ӵĸñ×Ó£¬ÐÞ¸Ä.carÎļþºóÔÙ°ÑrattleÓï¾ä¼ÓÈëinpÎļþºóÔËÐиÃÎļþ×ÜÊÇÌáʾ´íÎó£º
Error: molGeom set: all arguments specifying distance must contain the same number of items
    invoked from within
"if {$j != [object ats$i info nItems]} {
                error "molGeom $geoOp: all arguments specifying $table must contain the same number of items"
            }"
    ("for" body line 2)
    invoked from within
"for {$i = 1} {$i < $Nargs} {incr i} {
            if {$j != [object ats$i info nItems]} {
                error "molGeom $geoOp: all arguments specifying $table must conta ..."
    invoked from within
"if {$Nargs == 1} {
        set sets [string tolower [subset get ats $args]]
        database handle dbh $ats
        if {$nargs > 1} {
            if {$sets != $table} {
                error  ..."
    (procedure "molGeom" line 93)
    invoked from within
"molGeom set distance $bl $waterO $waterH2"
    invoked from within
"if {$wtype == "SPC"} {
            vector bl 1.00
            vector wc -0.820
            molGeom set distance $bl $waterO $waterH1
            molGeom set distance $bl $waterO  ..."
    invoked from within
"if {$type == "water"} {
    #Check/set up water ff type
        global env
        if {[lindex $args 0] == "-waterType"} {
            if {$l < 2} {
                error "rattle water: ..."
    (procedure "rattle" line 48)
    invoked from within
"rattle water -waterType TIP3P -tolerance 1e-4"
Äܲ»ÄܰïÎÒ¿´¿´ÊÇʲôÎÊÌâ°¡£¬ÎªÁËÕâ¸öÎÊÌâ¿àÄÕÁ˺ܾÃÁË£¬Ð»Ð»À²
14Â¥2015-03-10 11:05:39
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Sophiezx45

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
5Â¥: Originally posted by cg³Â at 2013-12-29 23:09:28
±ÈÈçÄã»­ºÃË®·Ö×Ó ±ÈÈçÔÚdiscoverµÄdynamicsÖÐÑ¡Ôñfile È»ºósavefile
  ½ô½Ó×ÅÄãÕÒµ½¸Ã·Ö×ÓµÄÄ¿±êÎļþ¼Ð£¨ÔÚÓ²ÅÌÉÏ£©£¬ÀïÃæ¾ÍÓиö.carÎļþ ÄãÓÃeditplus´ò¿ª±à¼­
ʣϾÍÊÇ£º
    ¹ØÓÚË®·Ö×ӵIJ¿·Ö°´ÕÕÈçÏ·½Ê½ ...

"È»ºóÖØÐ´ò¿ª´ËÎļþ£¬ÔÚ´ËÎļþµÄ»ù´¡ÉϽøÐÐÐÞ¸Ä"¾ßÌåÐÞ¸Äʲô£¿»¹ÓС°µ¥¸öË®·Ö×ÓÒÔEND½áÊø¡°ÖÐENDµÄλÖÃÔÚÎļþµÄÄÄÀÁíÆðÒ»Ðмӣ¬»¹ÊÇÖ±½ÓÔÚrattle water - waterType SPC -tol erance l e-4ºóÃæ¼Ó£¿
15Â¥2015-04-13 10:04:43
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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