AMBER Archive (2007)

Subject: Re: AMBER: BELLY

From: Eddie Men (pckboy_at_gmail.com)
Date: Thu Nov 22 2007 - 16:30:38 CST

short md run no frills cutoff
 &cntrl
   nstlim = 20,
   ntpr = 1,
   cut=15.0, igb=0,
   ntwr=100000, ntwx=1,
   ntx=5, irest=1,
   ntc=2, ntf=2, tol=0.000001,
   dt=0.002, ntb=0,
   ibelly=1,
   tempi=300,temp0=300,tautp=.5,
   ntt=0,
   bellymask=":1-20",
   imin=0, maxcyc=10,ncyc=100
 /

Eddie Men wrote:
> Greetings Amber users
>
> I was wondering if anyone could send me an example on how
> to specify belly masks?. i.e. on what file should I store the
> information on restrains?.
>
> The manual is not clear about this, I think
>
>
> Eddie
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