[gmx-users] create custom position restraints for martini ff

Hi, I want to run a position restraint equibrilation of lipids (and also proteins in another simulation). Im using the martini ff, so pdb2gmx is no option of generating the necessary .itp . Genrestr just creates restraints for one molecule right, so its no option either. How can I manage that?

Re: [gmx-users] create custom position restraints for martini ff

On 8/30/15 1:59 PM, kh...@web.de wrote: Hi, I want to run a position restraint equibrilation of lipids (and also proteins in another simulation). Im using the martini ff, so pdb2gmx is no option of generating the necessary .itp . Genrestr just creates restraints for one molecule right, so its

Re: [gmx-users] create custom position restraints for martini ff

On 8/30/15 2:11 PM, kh...@web.de wrote: Hey Justin, I really dont know what you mean ^^ Could you probably explain it on an example? Explain in a bit more detail exactly what you need to do and I can give you a better example, but it's straightforward, e.g. for a protein: gmx genrestr -f

[gmx-users] create custom position restraints for martini ff

Hey Justin, I really dont know what you mean ^^ Could you probably explain it on an example? Greetings, Kathrin -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read