Hello Anirban, Greetings from Pawan. You can find the scripts in this webiste : http://wiki.gromacs.org/index.php/Membrane_Simulations
Regards, Pawan On Thu, May 14, 2009 at 3:01 PM, Anirban Ghosh <anirban...@yahoo.co.in>wrote: > Hi ALL, > > I have a built a system of protein embeded in lipid bilayer and solvated it > according to the GROMACS membrane simulation tutorial. I want to delete a > few water molecules that are there in the hydrophobic core of the bilayer. I > deleted them manually from the .gro file and corrected the atom numbers, but > still getting an error: > ----------------------------------------------------------------- > Invalid line in prt_genbox_MOD.gro for atom 73510: > 10.81119 10.81119 10.01306 > ----------------------------------------------------------------- > > How can I modify the last line and get a correct .gro file by removing the > unwanted waters? In the tutorial it is stated that there are some scripts to > remove the unwanted waters. Can anyone provide me such a script. > Any suggestion is welcome. > > > > Regards, > > > > *Anirban Ghosh* > *Grade Based Engineer > Bioinformatics Team > Centre for Development of Advanced Computing (C-DAC) > Pune, India > * > > ------------------------------ > Cricket on your mind? Visit the ultimate cricket website. Enter > now!<http://in.rd.yahoo.com/tagline_cricket_1/*http://beta.cricket.yahoo.com> > _______________________________________________ > 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 gmx-users-requ...@gromacs.org. > Can't post? Read http://www.gromacs.org/mailing_lists/users.php >
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