VMD-L Mailing List
From: Maxim Belkin (mbelkin_at_ks.uiuc.edu)
Date: Fri Mar 06 2015 - 14:47:05 CST
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Rigid bonds should not matter. I use "rigidbonds all" in my simulations and temperature that NAMD outputs to a log file is very close to the target value. Do you use Langevin thermostat? If you could copy/paste that portion of your NAMD configuration script it would be easier to troubleshoot the situation.
Maxim
> On Mar 6, 2015, at 2:26 PM, Jevgenij Raskatov <jraskato_at_ucsc.edu> wrote:
>
> Follow-up: could it be because I am using rigidBonds = all?
>
> --
> Dr. Jevgenij A. Raskatov
> Assistant Professor in Chemistry and Biochemistry
>
> Tel.: +1-831-459-2978
>
> Department of Chemistry and Biochemistry
> Physical Science Building 356
> 1156 High Street
> Santa Cruz, CA
> 95064 USA
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