R: Re: [gmx-users] Rotation Constraints - PMF + rerun

2013-07-24 Thread battis...@libero.it
13.09 >A: "battis...@libero.it", "Discussion list for GROMACS users" >Ogg: Re: [gmx-users] Rotation Constraints - PMF + rerun > >On Jul 24, 2013, at 12:30 PM, battis...@libero.it wrote: > >> Dear Carsten, >> >> Thank you very much for your very u

Re: [gmx-users] Rotation Constraints - PMF + rerun

2013-07-24 Thread Carsten Kutzner
On Jul 24, 2013, at 12:30 PM, battis...@libero.it wrote: > Dear Carsten, > > Thank you very much for your very useful help! > I'm making some tries to test the orire options that probably will solve my > problem. > > In order to do not waste resource, I thought using the rerun option of mdrun

R: Re: [gmx-users] Rotation Constraints - PMF + rerun

2013-07-24 Thread battis...@libero.it
Dear Carsten, Thank you very much for your very useful help! I'm making some tries to test the orire options that probably will solve my problem. In order to do not waste resource, I thought using the rerun option of mdrun I can use the trajectories generated before, where my mistake was to all