Re: [gmx-users] How to set up dihedrals

2009-05-14 Thread Mark Abraham
Thomas Schlesier wrote: Dear all, i'm making a .rtp for a sugar for the OPLS-AA force-field. To start i made a topology with the PRODRG server, so i have a list with all bonds, angles and dihedrals, but the problem is, that i'm missing the unpolar hydrogens. How to set up the bonds and angles ent

[gmx-users] How to set up dihedrals

2009-05-14 Thread Thomas Schlesier
Dear all, i'm making a .rtp for a sugar for the OPLS-AA force-field. To start i made a topology with the PRODRG server, so i have a list with all bonds, angles and dihedrals, but the problem is, that i'm missing the unpolar hydrogens. How to set up the bonds and angles entrys is no problem, but wit