hey...i think trjconv used with options -center tric/rect/zero -pbc whole should work. u can make an index file with a group that contains whatever atom u want the system to be centered around. u can choose this center atom group while using index file along with the above command.
karan On Nov 21, 2007 3:18 PM, pragya chohan <[EMAIL PROTECTED]> wrote: > > hi .... i want to wrap my lipid in water... which centres the lipid in > water. I know a command for this in amber (iwrap ). Is there a corresponding > command in gromacs > thanks for your help > Pragya Chohan > > _________________________________________________________________ > Post free property ads on Yello Classifieds now! www.yello.in > > http://ss1.richmedia.in/recurl.asp?pid=221_______________________________________________ > gmx-users mailing list [email protected] > 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 [email protected] 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
