Re: Namd using Charmm restart files

From: Ajasja Ljubetič (ajasja.ljubetic_at_gmail.com)
Date: Thu Oct 14 2010 - 02:31:41 CDT

As allways, everything is in the
UG<http://www.ks.uiuc.edu/Research/namd/2.7b4/ug/node13.html>
:

The standard units used by NAMD are Angstroms for length, kcal/mol for
energy, Kelvin for temperature, and bar for pressure. Wallclock or CPU times
are given in seconds unless otherwise noted.

But personally I don't see any problem with reassigning velocities.

Regards,
Ajasja

On Wed, Oct 13, 2010 at 23:55, Courtney Taylor
<courtney.b.taylor_at_gmail.com>wrote:

> All,
>
> I have looked through the forums and found no response to this issue of
> Namd starting at 0 Kelvin when using a Charmm velocity pdb as a starting
> point. Has anyone seen this again, or does anyone know how to resolve this??
>
> http://www.ks.uiuc.edu/Research/namd/mailing_list/namd-l/0191.html
>
> Courtney Taylor
> PhD Candidate
> Department of Chemical and Biomolecular Engineering
> Vanderbilt University
> (225)-771-8554
> (615)-343-3257
>
> "Though the course may change sometimes the river always meets the
> sea"--Zeppelin
>
>

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:23:17 CST