[gmx-users] pdb information

elham tazikeh elham.tazikeh at gmail.com
Mon Dec 29 17:08:16 CET 2014


Dear GMX users
i d like to know about pdb information
for instance, when i defined concentration of an ion by genion (-conc),
gromacs added  ion(s) to my structure

Now, my question is:
in a pdb e.g. (1ZE9: Amyloid beta peptide+Zn+2), there is only one cation
in pdb file
i want to know about its concentration?
my mean is one Zn+2 ion equal *what concentration*?
regards


More information about the gromacs.org_gmx-users mailing list