Behnoush Zare wrote:
Dear Yanzi,
Thank you for your swift response. I did all you wrote to me. Also I include
ffG43a1 forcefield in the lipid.itp file and then include the lipid.itp file in
the protein.top at line 12 as forcefield parameter. When I run grompp the
following error appeared:
Be careful mixing two force fields unless you know what you are doing,
i.e. other people have published with this mix. See
http://wiki.gromacs.org/index.php/Force_Fields#Usage
Fatal erroe; Invalid order for directive moleculetype, file "protein.top",
line 14
What is this error and what do I have to do?
This means the directives in the .top file (possibly via an .itp
#include) are out of order. Directives look like "[ moleculetype ]". See
chapter five of the GROMACS manual for the order in which they need to
appear.
Mark
_______________________________________________
gmx-users mailing list gmx-users@gromacs.org
http://www.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at http://www.gromacs.org/search before posting!
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
