Dear gmx-users, I am following the KALP tutorial below:KALP-15 in DPPC Tutorial progress point
At this step I get this error (and I know that the discrepancy is because the 23 DPPC molecules are not included): /usr/local/gromacs/bin/gmx grompp -f ions.mdp -c model1_solv.gro -p topol.top -o ions.tpr Fatal error:number of coordinates in coordinate file (model1_solv.gro, 12266) does not match topology (topol.top, 11116) For more information, see my Folder with all of my KALP Tutorial files I see that trying to #include "dppc.itp" is not the right way to go because it has the same precedence as forcefield.itp. So my guess as to what is wrong is that I messed up the contents of the gromos53a6_lipid.ff folder somehow when I was making them in "Step Two" of the tutorial. This seems to say that the problem is probably with these two files in the gromos53a6_lipid.ff folder: ffnonbonded.itp and ffbonded.itphttp://comments.gmane.org/gmane.science.biology.gromacs.user/50436 So how do I (manually?) fix the ffnonbonded.itp and ffbonded.itp files? Or did I miss a step in the tutorial? I could redo the tutorial (up to my progress point) pretty quickly. Sincerely,Thomas -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
