AMBER Archive (2007)

Subject: AMBER: minimization not running

From: deepti nayar (deepti.icgeb_at_gmail.com)
Date: Thu Mar 29 2007 - 03:57:15 CST

hi

I am trying to minimize a dipeptide of phenylalanine-
dehydrophenylalanine. but it shows the following error.

[root_at_Bic11 exe]# sander -O -i min.in -o phe_delphe.min.out -c
newdelphe.x -p delprmtop -r phe_delphe.min.x

  Unit 10 Error on OPEN: refc

my min.in file is attacht here.

i have specified the required torsions in RST file.

 kindly tell me where i am going wrong.

thanks
deepti


  • application/octet-stream attachment: min.in
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