Re: [gmx-users] extrnal itp files

2009-02-16 Thread XAvier Periole
What do you mean by directions? in your topology file you have to include the file martini_v2.1.itp as you would do for any other force field! On Feb 16, 2009, at 11:07 AM, bhf70 wrote: It is possible to set an example ? bhf70 wrote: > Could you tell me, please. > > What's directions need th

Re: Re: [gmx-users] extrnal itp files

2009-02-16 Thread bhf70
It is possible to set an example ? bhf70 wrote: > Could you tell me, please. > > What's directions need the programm pdb2gmx to use external .itp files, > for example martini_v2.1.itp (Coarse Grained Force Field)? > > How is it to do ? There should be instructions accompanying that force f

Re: [gmx-users] extrnal itp files

2009-02-16 Thread Mark Abraham
bhf70 wrote: Could you tell me, please. What's directions need the programm pdb2gmx to use external .itp files, for example martini_v2.1.itp (Coarse Grained Force Field)? How is it to do ? There should be instructions accompanying that force field wherever you got it from. There's some

[gmx-users] extrnal itp files

2009-02-16 Thread bhf70
Could you tell me, please. What's directions need the programm pdb2gmx to use external .itp files, for example martini_v2.1.itp (Coarse Grained Force Field)? How is it to do ? I use GROMACS v3.3.2 and OPLSAA Force Field. Igor ___ gmx-users mailin