[gmx-users] ffoplsaa.atp

[Anton Feenstra]

David van der Spoel wrote:
> 
[...]
> Finally grompp has a -deuterate option IIRC.

I*I*RC, that is pdb2gmx, not grompp.


-- 
Groetjes,

Anton
  _____________ _______________________________________________________
|             |                                                       |
|  _   _  ___,| K. Anton Feenstra                                     |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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