Rongliang Wu wrote: > Hello gmx-users, > i used grompp intending to minimize the SW water i made, but i > get error like: > Fatal error: > Found a second defaults directive, file > "/home/wurl/gromacs/share/gromacs/top/sw.itp", line 36 > > > i looked in sw.itp file but line 36 is: > [ defaults ] > LJ Geometric > > do i have to remove "geometric"?
Make this line a comment by putting a ';' in front of it, like: [ defaults ] ; LJ Geometric -- Groetjes, Anton * NOTE: New Affiliation, Phone & Fax numbers (below) * _____________ _______________________________________________________ | | | | _ _ ___,| K. Anton Feenstra | | / \ / \'| | | IBIVU/Bioinformatics - Vrije Universiteit Amsterdam | |( | )| | | De Boelelaan 1083 - 1081A HV Amsterdam - Netherlands | | \_/ \_/ | | | Tel +31 20 59 87783 - Fax +31 20 59 87653 - Room P440 | | | [EMAIL PROTECTED] - www.few.vu.nl/~feenstra/ | | | "If You See Me Getting High, Knock Me Down" (RHCP) | |_____________|_______________________________________________________| _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users 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
