[gmx-users] psf to tpr

2013-08-16 Thread Venkat Reddy
Dear All, I would like to convert my NAMD psf file to GROMACS tpr file? First of all, is it possible? If so, is there any script available? Please help me in this regard. Thanks for your valuable time. -- With Best Wishes Venkat Reddy Chirasani PhD student Laboratory of Computational Biophysics

Re: [gmx-users] psf to tpr

2013-08-16 Thread Mark Abraham
I doubt there's a useful script - there's too many details to even have a reliable psf-to-top converter. Google will know if anybody does! Mark On Fri, Aug 16, 2013 at 8:17 AM, Venkat Reddy venkat...@gmail.com wrote: Dear All, I would like to convert my NAMD psf file to GROMACS tpr file? First

Re: [gmx-users] psf to tpr

2013-08-16 Thread Dr. Vitaly Chaban
No, it is not. But you can at least convert coordinates via VMD. If you want to use gromacs trajectory analysis tools, it is easier to convert NAMD trajectory to gromacs trajectory. Otherwise, I have no idea why one may need to jump between codes. Dr. Vitaly V. Chaban On Fri, Aug 16, 2013 at