[交流] 【求助】加水盒子后，在出去中间部分水时出现了问题（已解决） 已有1人参与

加水盒子的过程： set sel [atomselect top all] measure minmax $sel solvate -t 3 -minmax {上一步的得到的值} -o solkcsa 然后source make_solv.tcl: set sol_infile solaqp1.pdb set aqp1_inbase aqp1 set outbase aqp1_solv_raw package require psfgen resetpsf readpsf solaqp1.psf coordpdb solaqp1.pdb readpsf ${aqp1_inbase}.psf coordpdb ${aqp1_inbase}.pdb writepdb ${outbase}.pdb writepsf ${outbase}.psf exit 按照教程再往后： mol load psf aqp1_solv_raw.psf pdb aqp1_solv.raw.pdb set all [atomselect top all] $all moveby [vecinvert [measure center $all]] display resetview set solv [atomselect top "segname SOLV"] $solv set beta 1 set seltext "segname SOLV and same residue as ((z<-20) or (z>10))" set sel [atomselect top $seltext] 出现了下面的问题： [ Last edited by nufang19a on 2011-2-21 at 12:29 ]

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