set t1 [atomselect top {
type 1}]
set t2 [atomselect top {
type 2}]
set t3 [atomselect top {
type 3}]
set t4 [atomselect top {
type 4}]
set t5 [atomselect top {
type 5}]
$t1 set name si
$t2 set name o
$t3 set name h
$t4 set name h
$t5 set name o
set silica [atomselect top {
type 1 and type 2}]
set water [atomselect top {
type 3 and type 4 and type 5}]
within 5 of {
type 1 or type 2}
type 3 or type 4 or type 5
vmd
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转载自blog.csdn.net/qq_43689832/article/details/104874445
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