AMBER Archive (2009)

Subject: Re: [AMBER] Installing AMBER 10 on Ubuntu 9.10 Karmic Koala

From: Mark Williamson (
Date: Mon Nov 16 2009 - 13:49:58 CST

Wallace Kunin wrote:
>The script passes with no information when I run it directly. the
>tgtmd.out file contains no information but the title

I'm a little confused now. I sense you are not being as rigorous with
your language as you need to be, in order to debug this problem
effectively via a mailing list conversation.

Did you do what I said in the previous email, i.e. modify the Run.tgtmd
script so that it does not delete the input files?

Are you saying that the tgtmd.out contains nothing but the title when
you run:

../../../exe/sander -O \
  -i \
  -o tgtmd.out \
  -p prmtop \
  -c inpcrd \
  -ref refcrd \
  -x tgtmd.trj \
  -inf \
  -r tgtmd.restrt

with the generated input files present?



AMBER mailing list