> &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
/\
\/
|\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 read 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 Thu Jan 20 2005 - 22:53:00 PST
