[gmx-users] amber ff gromacs

, pdb works for all other fields. I will be thankful for your help and time. Kind Regards, Amninder Virk -- View this message in context: http://gromacs.5086.x6.nabble.com/amber-ff-gromacs-tp5015342.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users

Re: [gmx-users] h_bonds

of three glycine molecules hydrogen bonded to each other but not to any other glycine molecule). I am using default h-bond criteria 0.35 nm but that can be changed accordingly. Amninder virk -- View this message in context: http://gromacs.5086.x6.nabble.com/h-bonds-tp5015132p5015142.html Sent from

Re: [gmx-users] h_bonds

Dimers and trimers of aminoacids (glycine) -- View this message in context: http://gromacs.5086.x6.nabble.com/h-bonds-tp5015132p5015136.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org

[gmx-users] h_bonds

trimers and others. Is there any other way to calculate this? I will be very thankful to you for your help and time. Thanks. Kind regards, Amninder Virk -- View this message in context: http://gromacs.5086.x6.nabble.com/h-bonds-tp5015132.html Sent from the GROMACS Users Forum mailing list

Re: [gmx-users] Potential energy calculations

Justin Lemkul wrote > Gromacs reports energies in kJ per mole of equivalent systems. If you're > looking for a value like configurational energy, use g_energy -nmol as > needed to divide by the number of molecules in the system. > > -Justin > > > On Mon,

Re: [gmx-users] Potential energy calculations

I am trying to simulate mixture of DMSO and water at different mole fractionbut this value is for 100% DMSO. -- View this message in context: http://gromacs.5086.x6.nabble.com/Potential-energy-calculations-tp5013495p5013499.html Sent from the GROMACS Users Forum mailing list archive at Nabble

Re: [gmx-users] Potential energy calculations

sorry, I didn't understand it what do you mean by zero it.But I have stabilised energy calculation for my simulation..I am thinking something wrong with units or something with my simulation -- View this message in context: http://gromacs.5086.x6.nabble.com/Potential-energy-calculati

[gmx-users] Potential energy calculations

and time. Amninder Virk -- View this message in context: http://gromacs.5086.x6.nabble.com/Potential-energy-calculations-tp5013495.html Sent from the GROMACS Users Forum mailing list archive at Nabble.com. -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org