[gmx-users] position restraints and minimizers

[Anton Feenstra]

Malcolm Gillies wrote:

> Hi --
> 
> do any of the minimizers in gromacs (3.1.4, 3.2.0 or CVS versions) work
> with position restraints?

Yes.

> I'm trying to duplicate a published CHARMM protocol that begins with a
> C-alpha-restrained CG minimization of a PDB structure.

I use steep & posres in my equilibration protocol.


-- 
Groetjes,

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