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AMBER Archive (2007)Subject: Re: AMBER: How to fix two angle but do umberlla sampling for distance?
From: Jerome.GOLEBIOWSKI_at_unice.fr
Hi,
> # fixed angle restrainst
here I don't understand why you write 5,5
> &rst iat=4,5,5,5 r1=0.0, r2=0.0, r3=0.0, r4=360.0, rk2 = 1000.0, rk3 =
look at your PDB and write the good atom numbers. There is no need to
Good lick
-- Jerome Golebiowski, PhD LCMBA, team Chemometrics and Molecular Modeling University of Nice, parc Valrose 06108 Nice Cedex2 France tel : +33 (0)4 92 07 61 03 http://www.unice.fr/lcmba http://www.unice.fr/lcmba/golebiowski ----------------------------------------------------------------------- The AMBER Mail Reflector To post, send mail to amber_at_scripps.edu To unsubscribe, send "unsubscribe amber" to majordomo_at_scripps.edu
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