AMBER Archive (2007)

Subject: AMBER: NTX=7 ?............lastist= ?...........lastrst= ?????

From: Sandeep Kaushik (sandy.thesmitten_at_gmail.com)
Date: Mon Apr 09 2007 - 05:35:54 CDT

Hi all,
I have a few questions about the terms used in the benchmark input file in
AMBER9..
I want to know what does ntx = 7 stands for (i couldn't find the value "7"
in NTX parameter ...only upto 6 have been mentioned ..
and then second question is lastist = 4000000, & lastrst = 5000000, stand
for what ...
I couldn't find these values in amber 9 manual..

The input file with a few modification is this:

FIX (active) full dynamics ( constraint dynamics: constant volume)
 &cntrl
   ntx = 7, irest = 1,
   ntpr = 100, ntwx = 1000, ntwr = 1000,
   ntf = 2, ntc = 2, tol = 0.000001,
   cut = 8.0,
   nstlim = 1000000, dt = 0.001,
   nscm = 1000,
   ntt = 1,
   lastist = 4000000,
   lastrst = 5000000,
 /

Thanks..

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