AMBER Archive (2003)

Subject: AMBER: Not getting restrt file on running sanders

From: Vikas Varshney (vikas_var_at_rediffmail.com)
Date: Thu Oct 09 2003 - 16:40:15 CDT

Dear AMBER users, I tried to run minimization of a system of around 500 residues (~5000 atoms) in sander with option -r restart, but did not get the restart file. Here is my input file. Minimization &cntrl imin=1,maxcyc=100000,ntmin=2, ntpr=10,iwrap=1, &end Group input for restrained atoms 2.0 RES 383 478 END END I will really appreciate if you are can help me with this. Many regards and thanks, VIkas Varshney Dept. of polymer science University of Akron.

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