AMBER Archive (2004)

Subject: AMBER: NMODE via MM-PBSA

From: ML (lepsik_at_uochb.cas.cz)
Date: Wed Jan 21 2004 - 06:03:31 CST

Hello AMBER team!!!
Is there any way to do nmode calculations via mm-pbsa stepwise? I mean
steep desc+conj.grad. mini in sander, then Newt-Raph mini in nmode, then
normal modes in nmode. What it does now is passing minimization commands
to sander and urging nmode to do normal mode analysis, not Newt-Rap.

I'd very much appreciate your help.

Sincerely,

Martin Lepsik 

-- 
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Martin Lepsik
Dept. of Molecular Modeling
Institute of Organic Chemistry & Biochemistry
Czech Academy of Sciences
phone: +420-220 183 540
fax:+420-220 183 292
e-mail:lepsik_at_uochb.cas.cz

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