[gmx-users] Re: LINCS error

[aiswarya.pawar at gmail.com]

I did few changes ie decreased the time step/ increased the equilibration steps/ omitted the generation of velocity in production run / did 2 steps of equilibration / checked the starting structure for steric clashes. 

I don't understand what else should I try to fix the lincs warnings.


Sent from my BlackBerry® on Reliance Mobile, India's No. 1 Network. Go for it!

-----Original Message-----
From: Mark Abraham <mark.abraham at anu.edu.au>
Sender: gmx-users-bounces at gromacs.org
Date: Wed, 21 Dec 2011 00:15:15 
To: Discussion list for GROMACS users<gmx-users at gromacs.org>
Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
Subject: Re: [gmx-users] Re: LINCS error

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