Re: [gmx-users] defining two interactions potentials for same pair of atoms

Thanks for the reply Mark. On Wed, Jun 14, 2017 at 4:34 AM, Mark Abraham wrote: > Hi, > > On Tue, Jun 13, 2017 at 3:26 PM Sahithya S Iyer wrote: > > > Hi gmx users, > > > > Can someone please tell me if it is possible to use two user defined > >

Re: [gmx-users] defining two interactions potentials for same pair of atoms

Hi, On Tue, Jun 13, 2017 at 3:26 PM Sahithya S Iyer wrote: > Hi gmx users, > > Can someone please tell me if it is possible to use two user defined > (non-bonded) potentials for the same pair of interaction sites. > For instance, if I have beads A and B, I can define non

[gmx-users] defining two interactions potentials for same pair of atoms

Hi gmx users, Can someone please tell me if it is possible to use two user defined (non-bonded) potentials for the same pair of interaction sites. For instance, if I have beads A and B, I can define non bonded interactions as table_A_A.xvg, table_A_B.xvg, and table_B_B.xvgfor these two sites. But