[gmx-users] How to get one T coupling for a multi component systems ?
feenstra at chem.vu.nl
Wed Jul 28 10:49:47 CEST 2004
Tandia, Adama wrote:
> Dear All:
> I want to run a MD of a structure composed of thousands of atoms belonging to n (n>> 2) different types.
> There is no bonding between atoms of the system.
> I developed the following .top file, which required n different T couplings
Use make_ndx to combine the index groups you want, or use the
pre-defined group 'System' (or one of the others).
| | |
| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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