[AMBER] High value for force constant is acceptable?

From: Rinsha Chk <rinshachk.gmail.com>
Date: Thu, 11 Feb 2021 17:20:58 +0530

Hi,
I am doing an MD simulation on azobenzene with dihedral angle restraint.
But it requires a force constant of 800.0 kcal/molrad2 to maintain the
desired dihedral angle value... My concern is that, is it acceptable to use
such a high value?
(I tried angle restraint instead of dihedral angle and combination of both,
but found that only the torsional restraint makes the desired change, but
requires this much high value..)
If such a high force constant is not acceptable to use throughout the
simulation, is there any other way to solve this? 

-- 
Thanks and Regards,
Rinsha. C H
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Received on Thu Feb 11 2021 - 04:00:02 PST
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