Re: TClforce

From: poker_at_physics.usyd.edu.au
Date: Thu Oct 20 2011 - 21:22:25 CDT

  Dear Swarna,
  My impressions are that the executable will always summon the
calcforces proc every time step. If you only want to *apply* the
forces every x timesteps, I would suggest wrapping the contents of the
calcofrces in some variation of "if {t mod x} eq 1" loop.
  If you really have to stop NAMD from calling calcfrces every
timestep... have you tried regular switching the tclForces parameter?
It's not very neat, but it's a possible solution since NAMD config
files are also tcl-based.

- Poker.

Quoting Swarna M Patra <swarnam.patra_at_gmail.com>:

> Dear NAmd users
> I am using Tclforce on to put harmonic restrain on the center of mass of
> protein. by default its calling in every step. How to change the frequency
> of calling tclforce let say every 100 steps or 1000 steps .
> regards
> swarna
>

----------------------------------------------------------------
This message was sent using IMP, the Internet Messaging Program.

This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 05:24:29 CST