From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Thu Oct 16 2014 - 08:11:59 CDT
Why do you want to do this?
Norman Geist.
Von: mostafa raeesi [mailto:mostafa.raesi_at_gmail.com]
Gesendet: Donnerstag, 16. Oktober 2014 14:58
An: Norman Geist
Betreff: Re: namd-l: velocity manipulation
Dear Norman,
Thank you for your swift response.
I want to manipulate velocity of atoms real time once every few steps. For this reason, I should have access to the velocity of each atom which to my knowledge is written on the non-binary file of (*.vel) and obviously is not of any use to me.
Please suggest if I can find them anywhere else.
Thanks in advance.
On Thu, Oct 16, 2014 at 3:57 PM, Norman Geist <norman.geist_at_uni-greifswald.de> wrote:
Hey,
a non-binary velocity file is simply PDB format ;)
But please notice that _ONE_ single velocity file doesn’t really tell anything. Regarding on what you try to analyze you could need a VELDCD. What are you going to do?
Norman Geist.
Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im Auftrag von mostafa raeesi
Gesendet: Donnerstag, 16. Oktober 2014 13:37
An: namd-l_at_ks.uiuc.edu
Betreff: namd-l: velocity manipulation
Dear NAMD users,
I have difficulty reading the velocity file in non-binary format for my simulation results, please advise either an appropriate method e.g. a TCL code for the same or any features on NAMD (not VMD) that can be of assistance.
My appreciations,
Mostafa
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