[gmx-users] mdrun fatal error

[Mark Abraham]

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.

Mark