[gmx-users] [Fwd: Problem with Position restrained dynamics]

[Ragothaman Yennamalli]

Can you send us the pr.mdp file? 
Regards,
Raghu

--- David van der Spoel <spoel at xray.bmc.uu.se> wrote:

> 
> 
> -------- Original Message --------
> Subject: 	Problem with Position restrained dynamics
> Date: 	Tue, 24 Jul 2007 19:19:39 +0530
> From: 	E BHARATHY <ebharathy at nicholaspiramal.co.in>
> Reply-To: 	CHANDRIKA RAO
> <chandrika at nicholaspiramal.co.in>
> To: 	spoel at xray.bmc.uu.se, spoel at gromacs.org
> 
> 
> 
> 
> Dear Dr. David,
>     When i prepared my position restrained dynamics
> MD, grompp generated
> /        Back Off! I just backed up mdout.mdp to
> ./#mdout.mdp.3#/
> /        WARNING 1 [file pr.mdp, line unknown]:/
> /          Unknown left-hand warnings in parameter
> file/
> 
> Ignoring this warning i proceeded with mdrun, but i
> get the following
> LINCS warning and the mdrun stopped after 3 steps,
> 
> /Reading file BHE_pr.tpr, VERSION 3.2.1 (double
> precision)/



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