[gmx-users] Hydrogen bond in z direction

Dear all I want to calculate the number of hydrogen bonds in z direction of simulation box, in that, the number of hydrogen bonds versus z direction Would you mind let me know how to do it? thanks -- Best Regards, Mostafa Fakhraee === PhD Student

Re: [gmx-users] Fwd: Maximum number density in gmx densmap

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[gmx-users] Graphene sheet topology

Hi, Does anyone know how to build a graphene topology based on OPLS-AA force field? Also is it possible to let me know how can I determine the improper dihedral of graphene because graphene sheet has a lot of dihedrals and it is difficult for do that manually? -- Best Regards, Mostafa

[gmx-users] How to build a topology file of Gromacs for a system contains two graphene sheet?

and two residues or not? -- Best Regards, Mostafa Fakhraee === PhD Student of Physical Chemistry, Department of Chemistry, Sharif University of Technology, Tehran, Iran. Official Email: mostafa_fakhr...@ch.sharif.ir <mostafa.fakhr...@yahoo.com>

[gmx-users] External pressure

. Is it possible send me an example input of .mdp file)? -- Best Regards, Mostafa Fakhraee === PhD Student of Physical Chemistry, Department of Chemistry, Sharif University of Technology, Tehran, Iran. Official Email: mostafa_fakhr...@ch.sharif.ir <mostafa.fa