Fwd: restrain on COM

From: Swarna M Patra (swarnam.patra_at_gmail.com)
Date: Fri Nov 18 2011 - 23:33:09 CST

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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.
thanks
swarna

• application/octet-stream attachment: run_conf2

• application/x-tcl attachment: restrain2.tcl

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