[gmx-users] Again 1-4 interaction
dikov at mail.univ.kiev.ua
Fri Dec 7 13:11:36 CET 2001
I have tried to simulate a protein with restraints and get 1-4
interaction warning. After this when I have read log file I found:
Going to determine what solvent types we have.
There are 11573 molecules, 12405 charge groups and 36610 atoms
There are 0 optimized solvent molecules on node 0
There are 11571 optimized water molecules on node 0
So, during optimization solvent procedure 2 water molecules loss occured? Where is a bug, or what I made wrong?
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