[gmx-developers] CVS implementation of REMD
Anton Feenstra
feenstra at few.vu.nl
Wed May 25 17:19:04 CEST 2005
Ken Rotondi wrote:
> Then I ran mdrun:
>
> mdrun -v -multi -np 2 -replex 20 -s topol.tpr
Perhaps -np 2 and -replex 20 'bite' each other. From what I gather from
the other mails, 'mdrun -v -multi -replex 2' could work.
--
Groetjes,
Anton
* NOTE: New Phone & Fax numbers (below) *
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| _ _ ___,| K. Anton Feenstra |
| / \ / \'| | | Dept. of Pharmacochem. - Vrije Universiteit Amsterdam |
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| \_/ \_/ | | | Tel: +31 20 59 87608 - Fax: +31 20 59 87610 |
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| | "If You See Me Getting High, Knock Me Down" (RHCP) |
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