Dear people, I am trying to use the MARTINI CG force field from Marrink et al. for a 100 residue protein in water. I use the tools from the Marrink website (http://md.chem.rug.nl/~marrink/MARTINI/Downloads.html) for preparation of the necessary gro and itp files. For solvation of my protein I use the water.gro from the same website. However, using editconf/genbox to do so it is difficult to judge the density of system. genbox tells me that it is usually around a value between 220 and 260 g/l depending on boxsize. As the MARTINI forcefield uses a 1-to-4 mapping I think 250 g/l should correspond to 1000 g/l using an all-atom representation of my system. Still, I do not know whether these density values given by genbox are correct. Is there anyway to check this?
Thanks for your help, Merc -- Psssst! Schon vom neuen GMX MultiMessenger gehört? Der kann`s mit allen: http://www.gmx.net/de/go/multimessenger _______________________________________________ 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
