[gmx-users] Re: freeze dummy atom completely
schraven at mpip-mainz.mpg.de
Fri Aug 13 16:57:26 CEST 2004
Actually, what still questions me is why the freeze option doesn't seem to
be able to keep the dummy atom at its absolute position. I also tried
energygrp_excl = dumm mol
to the grompp file but this didn't bring much either. Any ideas?
Have a nice weekend!
Pim Schravendijk - PhD Student
Max Planck Institute for Polymer Research
On Fri, 13 Aug 2004, Pim Schravendijk wrote:
> Ok I found a brute-force solution, I changed my dummy atom topology to the
> one shown below. It works, but is not very elegant :) What is the maximum
> mass I can give without gromacs running into troubles somewhere?
> [ moleculetype ]
> dumm 3
> [ atoms ]
> 1 DUM 1 DUMM DUM 1 0.00000 99999999999999.00000
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