From: Jérôme Hénin (jhenin_at_ifr88.cnrs-mrs.fr)
Date: Sat Nov 19 2011 - 10:48:41 CST
This result could also be achieved using the colvars module: a
distance restraint between atoms of the protein and a dummy atom
giving the fixed position.
On 19 November 2011 06:33, Swarna M Patra <swarnam.patra_at_gmail.com> wrote:
> Dear NAMD users
> I need some help. I want to put restrain on COM of protein. is there a
> direct option? I am using TCLforce. please see the attached configuration
> file where I am calling tclforce in every 100 steps. Please check the force
> calculation part and tell me what is wrong.
> because at the beginning my REf COM of protein is
> 0.130 -0.004 4.937
> after 4ns the new COM of protein is
> -0.00120563134784 -2.98535293217 5.4882148289
> please help me. if you see anything wrong in force script pl let me know.
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