AMBER Archive (2005)

Subject: RE: AMBER: sander problem

From: Ross Walker (ross_at_rosswalker.co.uk)
Date: Wed Jul 06 2005 - 16:19:34 CDT

> &cntrl
> imin = 1,
> maxcyc = 1000,
> ncyc = 500,
> ntb = 1,
> ntr = 1,
> cut = 10
> /
> Hold the Protein fixed
> 500.0
> RES 1 35
> END
> END
>
> When I try to run sander the job stops abruptly. This is the output:
>
> sander -O -i min1.in -o SP_min.out -p SP.top -c SP.crd -r
> SP_minRST.rst -ref
> SP.crd -x SP_minMV.mdcrd -e SP_minEN.mden -inf SP_minIn.info
> forrtl: severe (64): input conversion error, unit -5, file

How did you create your input file?
Did you create it on a windows machine (or mac) and then try to run it on a
unix machine? It is possible that it is in the wrong "txt" format. If you
are using linux try:

dos2unix min1.in

That should help.

See http://amber.ch.ic.ac.uk/archive/200506/0215.html for more info.

All the best
Ross

/\
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|\oss Walker

| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross_at_rosswalker.co.uk |
| http://www.rosswalker.co.uk | PGP Key available on request |

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