Dear Gromacs users, I have a problem in simulating microtubule hetero-dimer. I was trying to include K+ and CL- ions to counter balance as well as to maintain the desired concn (intra cellular concentration of KCl is approx 140mM) using the command genion -s ions.tpr -o solv_ions.gro -p topol.top -pname K -nname CL -conc 0.14 -neutral But I got an error like "*Molecule type K is not found*" (gromos43a1ff). Even after the inclusion of K+ ion topology in gromos43a1ff/ions.itp, I got the same error. Next time I have changed the forcefield to *Amber99sb-ildn*. But this time it has given some different error like *atom type NR is not found *(I suppose this is due to the ligand topology generated by PRODRG). Please help me in this regard.
Thanking you With Best Wishes Venkat Reddy Chirasani IITM
-- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
