Re: [gmx-users] umbrella sampling for two polymer interaction

2013-05-30 Thread gromacs query
hr > *Von:* "gromacs query" > *An:* "Discussion list for GROMACS users" > *Betreff:* [gmx-users] umbrella sampling for two polymer interaction > Dear All, > > I want to do Umbrella sampling between two different polymers (A and B) > interacting with each othe

Aw: [gmx-users] umbrella sampling for two polymer interaction

2013-05-30 Thread lloyd riggs
Dear Jiom,   Look at justines tutorial, there's example pull .mdp.   Stephan Watkins   Gesendet: Donnerstag, 30. Mai 2013 um 14:44 Uhr Von: "gromacs query" An: "Discussion list for GROMACS users" Betreff: [gmx-users] umbrella sampling for two polymer interaction

[gmx-users] umbrella sampling for two polymer interaction

2013-05-30 Thread gromacs query
Dear All, I want to do Umbrella sampling between two different polymers (A and B) interacting with each other with starting configuration separated by some distance and I am trying to bring them closer. I have some queries regarding pull inputs: (this is for to run a umbrella sampling at some dis