AMBER Archive (2008)

Subject: AMBER: Input file for Minimization

From: Campbell, Patrick (pcampbell_at_msm.edu)
Date: Sat Feb 09 2008 - 15:18:51 CST

Hello All,
 
I would like some information concerning the parameters to set for a minimization of a 200 aa, 30 kD protein. I was following from the AMBER tutorial by Ross Walker, and was wondering if the min1.in file which he quotes from the Simmerling, Strockbine and Roitberg paper could be modified for this process.
 
min1.in
 
Stage1 - minimisation of TC5b
   & cntrl
       imin=1, maxcyc=1000, ncyc=500,
       cut=999., rgbmax=999., igb=1, ntb=0,
       ntpr=100
   /
 
If this file could be modified, could you suggest some parameters for this process.
 
Thanks again for all your help.
 
Pat
 

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