Kushal Seth wrote:
Dear All!
Thanks for your replies.My CPP path seems to be ok as far as the
location is concerened and I continue to get the same error messsages.
The fact that you are receiving a cpp exit code (32512 in your email)
means it is being found and run, so Sukit's suggestion isn't applicable
here.
Is there any other reason for that ( my top files also seem to be
wroking for other simulations )
Reading the error message carefully will usually help you...
> -------------------------------------------------------
> Program grompp, VERSION 3.3
> Source code file: grompp.c, line: 427
>
> Fatal error:
> number of coordinates in coordinate file
> (binaryCR-Ochol-box-largeZ.pdb, 10280)
> does not match topology (mytop-nowater1.top, 0)
The absence of atoms in your .top file suggests that it is not being
generated correctly, or is trying to include non-existent files. Have a
look at it and try work out what is going wrong.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to [EMAIL PROTECTED]
Can't post? Read http://www.gromacs.org/mailing_lists/users.php
