On Friday 13 June 2008 16:43, Justin A. Lemkul wrote: > ANINDITA GAYEN wrote: > > if i refine the chaps.itp with opls charges, will it be active?
Wouldn't that do if you just got your all-atom .pdb from PRODRG (as Justin says) - or elsewehre! - and used ffopls* files to set the parameters in topology file for your atoms manually? > > > If not, what can i do then? should i use cholesterol in place of chaps? > > if yes, where to do download from ? > I guess it depends on what property you want to look at when simulating. People use, e.g. partition coefficients derived from Octanol-Water systems and say it's the same for a Phospholipid-Water system. Peyman -- Peyman Yamin Lehrstuhl fuer Thermische Verfahrenstechnik Universitaet Erlangen-Nuernberg Egerlandstr. 3 91058 Erlangen Phone: +49(0) - 9131 - 85 27671 Mailto: [EMAIL PROTECTED] _______________________________________________ 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
