AMBER Archive (2006)

Subject: AMBER: increase force constants

From: Mahalakshmi Sahasranaman (mlakshmis_at_gmail.com)
Date: Thu Aug 24 2006 - 08:45:28 CDT

Dear Amber Users,

In restrained Molecular dynamics using NMR constraints, I would like to do a
20ps simulation. I want to increase linearly the force constants for all
DNA-DNA constraints from 3.2 to 32 kcal over 3ps and remain at 32Kcal for
final 17ps of the simulation. How to increase linearly the force constants
for all DNA-DnA constraints from 3.2 to 32 kcal over 3ps and then remain at
32kcal for the final 17ps ? Please help me.

Thanks,
Lakshmi

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