AMBER Archive (2009)

Subject: Re: [AMBER] AMBER is running silently

From: Kefa Lu (kefa.lu_at_gmail.com)
Date: Mon Aug 17 2009 - 18:10:17 CDT

My .mdin file is simply as following,

 &cntrl
    imin=0,irest=0,ntx=1,
    cut=12.0,scee=1.2,
    tempi=310.0,temp0=310.0,
    ntt=3,gamma_ln=1.0,
    ntp=2,pres0=1.0,taup=5.0,
    vlimit=25.0,
    ntb=2,ntc=2,ntf=2,
    nstlim=1000000,
    iwrap=1,
    ntwe=100,ntwx=1000,ntpr=100,
 &end

Really appreciate for any suggestions.

Kefa

Bill Ross wrote:

> It would help to send your mdin.
>
> Bill
>
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