Hi Mark, I just want make use of the volumes of the spheres to enlarge the pocket without the use of any ligands. Thanks in advance!
Chiara On Feb 19, 2008 1:12 AM, Mark Abraham <[EMAIL PROTECTED]> wrote: > Chiara Parravicini wrote: > > Hi gromacs users, > > > > I would like to add LJ spheres into the protein cavitities, but I don't > > know how to define input parameters and files to set the run. Should I > > define spheres as "dummy atoms"? Any suggestion will be greatly > appreciated! > > How do you want these spheres to interact with the system? > > 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 >
_______________________________________________ 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
