AMBER Archive (2004)

Subject: AMBER: Temperature in Nmode

From: ML (lepsik_at_uochb.cas.cz)
Date: Tue Feb 10 2004 - 09:25:12 CST

Hello AMBER team,
I found that default temperature for nmode is 298.15. How do I change
this to 300K?

Is is enough to change tstd value in thermo.f at compilation time? Thanks.

Best regards,

Martin Lepsik 

-- 
-----------
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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