Re: [gmx-users] martini issues

2015-05-13 Thread Tsjerk Wassenaar
There's nothing to add to a perfect answer! Indeed 'p' is for 'polarizable' and should be used with a polarizable water model (PW) and not with the normal model (W). Also, Martini is not Gromacs, so information about the force field should not be expected in the Gromacs manual, but can be found in

Re: [gmx-users] martini issues

2015-05-13 Thread João Henriques
Dear Ming, There is nothing to fix. The first note is a simple reminder that cutoff-scheme is deprecated. The second warning is what it is, a warning. The [ atomtypes ] in the martini ff do not specify the radii. However there are [ nonbond_params ] for the W atomtype, i.e. P4. The radius is

[gmx-users] martini issues

2015-05-12 Thread Ming Tang
Dear all, I am learning martini method in gromacs through the tutorial http://md.chem.rug.nl/cgmartini/index.php/proteins.http://md.chem.rug.nl/cgmartini/index.php/proteins when solvating the system, I came across the following note: NOTE: This file uses the deprecated 'group' cutoff_scheme.