[gmx-users] How to get one T coupling for a multi component systems ?

[Anton Feenstra]

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).


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
|(   |   )| | | De Boelelaan 1083 - 1081 HV Amsterdam - Netherlands   |
| \_/ \_/ | | | Tel: +31 20 44 47608 - Fax: +31 20 44 47610           |
|             | Feenstra at chem.vu.nl - www.chem.vu.nl/~feenstra/       |
|             | "If You See Me Getting High, Knock Me Down"           |
|             | (Red Hot Chili Peppers)                               |
|_____________|_______________________________________________________|