When I went a bit further, I found it's wrong. Sorry. ________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of #ZHAO LINA# [zhao0...@e.ntu.edu.sg] Sent: Monday, November 22, 2010 4:50 PM To: Discussion list for GROMACS users Subject: RE: [gmx-users] potassium ion incorporation in GROMOS53a6 forcefield
I just tried the same way as using NA+, by genion -s ions.tpr -o protein_solvated_ions.gro -p topol.top -pname K+ -nname CL- -np Number_of_K It works, u may do a try. lina ________________________________ From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] on behalf of Jignesh Patel [jbp...@gmail.com] Sent: Monday, November 22, 2010 3:57 PM To: gromacs user Subject: [gmx-users] potassium ion incorporation in GROMOS53a6 forcefield Dear all, Can anybody tell me how to incorporate potassium ion parameters in GROMACS for GROMOS53a6 forcefield. Thanking you in anticipation. With regards, Jignesh
-- 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
