when I'm trying to use the Tielman's lipid.itp I always have the following error message:
Second default directive found in lipid.itp line ... [defaults] in lipid.itp are defined after [defaults] in ffgmx.itp because ffgmx.itp shuld be included before lipid.itp. I wonder if I can just delete [defaults] from lipid.itp. How to fix this problem? thanks > > or if i put ";" in the line 9 of lipid.itp >>>> atomtype LC3 not found > > or if i put ";" in the line 9 of lipid.itp and put > > [ defaults ] > > ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ > > 1 1 no 1.0 1.0 > > > > in the .top file, the same error comes. > > --- Mark Abraham <[EMAIL PROTECTED]> wrote: > > Dear all > > I want to run grompp command for making .tpr file > of > > POPC+Protein.I've been using the > ffgmx.itp,lipid.itp > > and i've removed the lipid.itp of the > > .top file, but it gives a fatal error : > > Atomtype 'HC' not found! > > Any help will be highly appreciated. > > I'm guessing HC will be defined in lipid.itp. Why > take it out? > > 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 > ____________________________________________________________________________________ Yahoo! oneSearch: Finally, mobile search that gives answers, not web links. http://mobile.yahoo.com/mobileweb/onesearch?refer=1ONXIC _______________________________________________ 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
