Dear Dr. Benkova and others: I am C. Kim and trying to simulation polymer system.
Since I guessed that polyethylene (PE) is a simple system, it could be not that hard to simulate it in Gromacs. Trying to do, I have read Dr. Benkova's articles in gmx-users mailing list to tackle my problems. Sorry to say, I could not solve problems, so I am asking your help! Actually I have used your files written in followings, http://www.mail-archive.com/gmx-users@gromacs.org/msg12204.html [Q1] After getting the result from the pdb2gmx, I could not see any H-atoms in my system. All the H-atoms have 0, 0, 0 positions! Therefore, my question is how I should define hdb? [Q2] When I use -C2, and +C1 in hdb file, I always meet error. Is there any other things to add to the ffopls*.* files...? Thank you for your care! Sincerely C. Kim
_______________________________________________ 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 gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
