[AMBER] Regarding restraints during minimisation stage 1 in explicit solvent

From: Asfa Ali <asfa.iisc.gmail.com>
Date: Mon, 8 Feb 2010 10:53:12 +0530

Sir,

I have tried minimising(Minimisation Stage 1) the DNA (1kf1) by restraining
the DNA and the potassium ions where I want to apply force constants of 500
kcal/mol to DNA( residues 0 to 21) and 50 kcal/mol to the two K+ ions
(residues 22& 23) simultaneously. However The output file shows that the
reastraint is being applied on the residues 22 & 23 only.

I am attaching the input file for the minimisation.

Please help me to solve the problem.

Thanking you,
Yours sincerely,
Asfa Ali.


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Received on Sun Feb 07 2010 - 21:30:02 PST
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