Hi all. Well, I just tried something different, and it "worked".
Found on the net that the 3.3.1 version of gromacs allows me to use sum of different periodic potential for the same dihedral, making it unecessary to use RBs. So, if I write the dihedrals in the form: F CT CT F 1 0.00 0.0000 3.0 F CT CT F 1 180.00 5.20800 1.0 X CT CT X 1 0.00 0.6530 3.0 The first two potential will sum up together to describe the dihedral of F-CT-CT-F, while all other dihecrals centered in a bond CT-CT will be defined by the potential described in the fourth line, correct? If anyone could confirm or deny it for me that would be really helpfull. Thanks a lot in advance for everything. Jones On 7/27/07, Mark Abraham <[EMAIL PROTECTED]> wrote: > > Jones de Andrade wrote: > > Hi Mark. > > > > Thanks a lot. > > > > I'm already trying to find some clue in the manual. Anyway, what sort of > > extra information could be usefull? > > Not off the top of my head. Please post your .top file, and the section > of the .itp file you've modified, including its "[ header ]". > > 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 >
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