Re: [gmx-users] gmx make_ndx - separating pulling groups by fragments

2016-10-04 Thread Justin Lemkul
On 10/3/16 11:25 PM, vprytkov wrote: Hello! I'm trying to conduct a pulling simulation with two identical proteins and centers of mass distance being the reaction coordinate. They are distinguished by fragment index in vmd (0 and 1), but the residues in the .gro file run from 1 to 178 and again

[gmx-users] gmx make_ndx - separating pulling groups by fragments

2016-10-03 Thread vprytkov
Hello! I'm trying to conduct a pulling simulation with two identical proteins and centers of mass distance being the reaction coordinate. They are distinguished by fragment index in vmd (0 and 1), but the residues in the .gro file run from 1 to 178 and again from 1 to 178. How to I used make_nd