[gmx-users] Problem with simulation of aromatic structures in methanol

[radhika jaswal]

Respected Sir,



I have problm with simulation of aromatic structures in methanol...the error which comes is like...

checking input for internal consistency...

calling /usr/bin/cpp...

processing topology...

Generated 1284 of the 1485 non-bonded parameter combinations

Cleaning up temporary file gromppu2ZcH8

-------------------------------------------------------

Program grompp, VERSION 3.3.1

Source code file: topio.c, line: 388



Fatal error:

Invalid order for directive atomtypes, file ""methanol.itp"", line 3

-------------------------------------------------------

I have checked all the files...and the program runs fine for aliphatic structures....

Please tell me the point where i am making a mistake...



With Regards

Radhika






      The INTERNET now has a personality. YOURS! See your Yahoo! Homepage. http://in.yahoo.com/
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20091107/92a08ec4/attachment.html>