[gmx-users] Problem with CG in double precision

[Anton Feenstra]

anwar at cdfd.org.in wrote:

> Dear users,
> I am getting a problem with CG minimization of protein in Double Precision. 
> The error is 
...
> I kept none constrains in em.mdp.

Do you use dummy atom constructions as generated by 'pdb2gmx -dummy'?


-- 
Groetjes,

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