AMBER Archive (2001)

Subject: Re: trajectory analysis

From: Andreas Svrcek-Seiler (svrci_at_tbi.univie.ac.at)
Date: Tue Jul 24 2001 - 14:00:59 CDT


Hi,
> I have two questions that I hope someone can enlighten me on:
> 1. Is it possible to perform an AMBER simulation while taking out the
> rigid body motion? (Subtracting angular momentum perdiodically)
...probably yes, have a look for NTCM, NSCM and NDFMIN in the manual

have fun,
best regards
andreas

-- 

))))) ((((( ( O O ) -------oOOO--(_)--OOOo----------------------------------------------------- o Wolfgang Andreas Svrcek-Seiler o (godzilla) svrci_at_tbi.univie.ac.at .oooO Tel.:01-4277-52733 ( ) Oooo. -------\ (----( )-------------------------------------------------------- \_) ) / (_/