[gmx-users] how to order atoms in GRO acording groups ?
a3arzi at vaidila.vdu.lt
Wed May 11 11:34:03 CEST 2005
I have made MD with constrains and get *.gro file.
After grompp run i got warning about non-matching atoms, because after
partial dynamics my atoms (molecules) of SOL and NA+ groups get
disordered (differ from *.top file).
How to order my SOL and NA+ groups respectively ?
SemteX mailto:a3arzi at vaidila.vdu.lt
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