[gmx-users] Regarding gmx insert molecules..

Dilip H N cy16f01.dilip at nitk.edu.in
Mon Feb 20 08:58:52 CET 2017

If i use gmx insert -f xyz.pdb -ci xyz.pdb -nmol 256 -o box a b
c..than..the molecule gets added ..
but if i visualise it in vmd ..the bonds there are getting broken...ie., ex
BH3 , H2O , in these if i see in vmd  there are bonds missing between
H-O-H. H-B-H bonds..
why is the error occuring..??

With Best Regards,

Research Scholar,
Department of Chemistry, NITK.

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