[gmx-users] #include "ffG45a3.itp"
chihying2008 at gmail.com
Mon Aug 25 17:17:00 CEST 2008
The same question is here. Would you please explain this again for me?
2. the complete data for ffG45a3 are as follows
If I simply write "#include "ffG45a3.itp" in my .top file and do NOT
include others. Will Gromacs include all of the OTHERS automatically?
Or, I have to include all of them in my .top file.
Chih-Ying Lin wrote:
> 1. when i make a .top file myself, i wrote the command #include "ffG45a3.itp".
> with this command, does it mean that Gromacs will assign the force
> field parameters automatically for those I do NOT write into the .top
> file ?
yes, if they are present in the FF.
> 2. the complete data for ffG45a3 are as follows
> If I simply write "#include "ffG45a3.itp" in my .top file and do NOT
> include others automatically. Or, I have to include all of them in my
> .top file.
> Thank you
> gmx-users mailing list gmx-users at gromacs.org
> 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 gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
David van der Spoel, Ph.D., Professor of Biology
Molec. Biophys. group, Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205. Fax: +4618511755.
spoel at xray.bmc.uu.se spoel at gromacs.org http://folding.bmc.uu.se
More information about the gromacs.org_gmx-users