Namd using Charmm restart files

From: Courtney Taylor (courtney.b.taylor_at_gmail.com)
Date: Wed Oct 13 2010 - 16:55:00 CDT

• Next message: Jianing Song: "RE: how to improve the occupation of GPU with NAMD-2.7b3-CUDA"
• Previous message: Jim Phillips: "Re: Regarding answering questions in a forum. Re: Langevin process in NAMD tutorial"
• Next in thread: Ajasja Ljubetič: "Re: Namd using Charmm restart files"
• Reply: Ajasja Ljubetič: "Re: Namd using Charmm restart files"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

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

• Next message: Jianing Song: "RE: how to improve the occupation of GPU with NAMD-2.7b3-CUDA"
• Previous message: Jim Phillips: "Re: Regarding answering questions in a forum. Re: Langevin process in NAMD tutorial"
• Next in thread: Ajasja Ljubetič: "Re: Namd using Charmm restart files"
• Reply: Ajasja Ljubetič: "Re: Namd using Charmm restart files"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:56:12 CST