AMBER Archive (2005)

Subject: RE: AMBER: sander failure

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Thu Jan 20 2005 - 16:47:34 CST

> &cntrl
> imin=1,maxcyc=100,
> nptr=1,
> /

You need a space before the & of &cntrl (the & should be in the second
column), you also need a blank line, or a comment before the &cntrl.

Comment
 &cntrl
  imin=1, maxcyc=100,
  ntpr=1,
 /

You also still have nptr!!! It should be ntpr. See the tutorials on the
amber website for some example input files.

All the best
Ross

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|\oss Walker

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