AMBER Archive (2001)

Subject: Re: Correction: SP3 name list

From: Michael Crowley (crowley_at_scripps.edu)
Date: Thu Mar 22 2001 - 11:49:43 CST

Sorry, also need ntt=0,1, or 4.

ntt=5 is not available after amber5.

4ps run to take rEDN from 0 to 100K
 &cntrl
    irest=0, ntx=1, t=0.0, nstlim=5,
    ntb=2, ntp=1, ntc=2, ntf=2,
    scnb=2.0, scee=1.2, cut=10.0,
    ntt=4, tempi=000.0, temp0=100.0, dtemp=10.0,
    tautp=0.2,
    ntcm=1, nscm=10, nsnb=10,
    dt=0.002, ndfmin=6,
    ntwe=10, ntwx=500, ntwv=0,ntpr=1,
    ntr=0,
 /

Mike