[gmx-users] mdrun fatal error

Mark Abraham Mark.Abraham at anu.edu.au
Tue Jun 6 08:55:52 CEST 2006

Beniamino Sciacca wrote:
> Dear gmx users,
> can somebody tell me why I've this problem?

Probably because you don't understand the type of simulation you're 
trying to do well enough.

> ---------------------------------------------------------------
> Program mdrun_d, VERSION 3.3.1
> Source code file: pullinit.c, line: 244
> Fatal error:
> Can not do constraint force calculation in parallel!
> -------------------------------------------------------
> what can I do?

Don't attempt a constraint force calculation in parallel.


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