Re: [gmx-users] itp problem

On 8/18/13 2:57 AM, Albert wrote: Hello: I am trying to restrain part of my protein. First I generate a index file by make_ndx. Then I use genrest for this purpose like: genres -f npt.gro -o helix -n -fc 400 after that I change the following in the topol.top file, like: ; Include Positi

[gmx-users] itp problem

Hello: I am trying to restrain part of my protein. First I generate a index file by make_ndx. Then I use genrest for this purpose like: genres -f npt.gro -o helix -n -fc 400 after that I change the following in the topol.top file, like: ; Include Position restraint file #ifdef POSRES #inc