[gmx-users] Gromacs Graphics card support

Hi all I am using desktop with following configuration. While running gromacs MD run, the NVIDIA 2GB-G-force-GT710/PCle/SSE2 is not supportive (or not detected- But it is installed properly). Please advice me whether I am using right Graphics card or not (or suggest some graphics card which are s

[gmx-users] Query on g_mmpbsa in gromacs

Hi I have been using g_mmpbsa of Rashhmi Kumari and group to calculate binding energy of lipids in protein-lipid complex. I got a quite good results with g_mmpbsa. Now, In my next step I need to perform network analysis where pairwise interaction energy from mmpbsa will be considered. I have 450

Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 143, Issue 118

sable. Mark On Mon, 28 Mar 2016 14:37 Prasanna Dr wrote: > Hi > > I have been using g_mmpbsa of Rashhmi Kumari and group to calculate binding > energy of lipids in protein-lipid complex. I got a quite good results with > g_mmpbsa. Now, In my next step I need to perform ne

[gmx-users] mmpbsa

Hi, Thanks a lot Rajendra. Your information is helpful. Pairwise interaction scheme ? is not implemented in g_mmpbsa. Therefore, g_mmpbsa cannot be used to calculate interaction energy between two residues. With best regards, ?Rajendra ? On Mon, Mar 28, 2016 at 2:37 PM, Prasanna Dr wrote

[gmx-users] GROMOS96 53A6 with extended Berger lipid parameters (Prasanna)

Hi all, The force field combination used in GROMOS96 53A6 with extended Berger lipids contains L-J interaction cross-terms between protein lipid atom types? If so how abnormally high L-J interactions are tackled? In my case, to prepare the topology of my system (which contains proteins and DPPC),