[gmx-users] Re: Charmm 36 forcefield with verlet cut-off scheme

With what was said: what do you all think of the following parameters for Charmm 36: rlist = 1.2 rlistlong = 1.4 vdwtype = cutoff rvdw-switch = 1.0 rvdw = 1.2 rcouloumb = 1.2 vdw-modifier = Potential-shift-Verlet DispCorr = No cutoff-scheme = Verlet -- View this message in context: http://gromac

[gmx-users] Re: Charmm 36 forcefield with verlet cut-off scheme

Thanks Justin. I was told that the "vdwtype = switch" was an essential component of running Charmm36. Is that not the case? -- View this message in context: http://gromacs.5086.x6.nabble.com/Charmm-36-forcefield-with-verlet-cut-off-scheme-tp5011322p5011328.html Sent from the GROMACS Users Forum m

[gmx-users] Charmm 36 forcefield with verlet cut-off scheme

Hey All, I am running a simulation of a POPC bilayer in water using a Charmm 36 forcefield. I am having trouble using cutoff-scheme=Verlet in my nvt equilibration. My .mdp file is as follows: title= OPLS Lysozyme NVT equilibration define = -DPOSRES ; position restrain the protein

[gmx-users] Using Charmm 36 forcefield on Gromacs 4.6 or higher

, VERSION 4.6.1 Source code file: /home/akk5r/Downloads/gromacs-4.6.1/src/kernel/runner.c, line: 824 Fatal error: OpenMP threads have been requested with cut-off scheme Group, but these are only supported with cut-off scheme Verlet For more information and tips for troubleshooting, please check the