AMBER Archive (2005)

Subject: AMBER: TMD force constant

From: Phineus Markwick (markwick_at_embl-heidelberg.de)
Date: Tue Mar 22 2005 - 07:14:53 CST

Dear AMBERers,

can anyone give me a general rough guess-estimate for the force constant
for TMD?
I recognise that this parameter can be optimised, given the type of system
and the problem at hand, but what would be a general ball-park figure to
start
with for TMD simulation of a protein in explicit water solvent at 300K?

with best regards,
Phineus Markwick.

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