> &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
/\
\/
|\oss Walker
| Department of Molecular Biology TPC15 |
| The Scripps Research Institute |
| Tel: +1 858 784 8889 | EMail:- ross.rosswalker.co.uk |
|
http://www.rosswalker.co.uk | PGP Key available on request |
Note: Electronic Mail is not secure, has no guarantee of delivery, may not
be ready every day, and should not be used for urgent or sensitive issues.
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Wed Jul 06 2005 - 22:53:00 PDT
