i want to ask you question about how can i deprotonate or use deprotonated
cysteine because I have protein with “cys” in active site, and I want to use
deprotonated“cys”. when i run “pdb2gmx “ no option appearing of choosing Cys
deprotonated state possibility > Date: Sun, 27 Jul 2008 13:16:20 +0200> From:
[EMAIL PROTECTED]> To: [email protected]> Subject: Re: [gmx-users] number
of grid cells is zero> > N. Sundar Ram wrote:> > Hi everyone,> > I am a new
user of gromacs. I am running MD for a Pleckstrin> > homology domain (100 amino
acids) in 8 nodes (32 CPUs). After> > Mdurn i get the following error: "Number
of grid cells is> > zero. system is collapsing".> > Though I saw many mails
regarding this problem in the mailing list, I> > could not get a proper
answer.> > > > Can anyone please tell me what should I do to get it running.> >
> > Thanking you in advance.> fix the problems in your structure most likely.
Did you say homology?> check the wiki.> > -- > 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.> [EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se>
_______________________________________________> 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
_________________________________________________________________
Sur Windows Live Ideas, découvrez en exclusivité de nouveaux services en
ligne... si nouveaux qu'ils ne sont pas encore sortis officiellement sur le
marché !
http://ideas.live.com
_______________________________________________
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
