[gmx-users] Re: freeze dummy atom completely

[Pim Schravendijk]

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
adding

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
http://www.mpip-mainz.mpg.de/~schraven/

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 
>