Re: [gmx-users] REMD demuxing

David, Great, it works, and really fast too! Thanks for all the help. Nikos, thanks for pointing out the python module, I think I'll be making extensive use of it in the future. Andrea David van der Spoel wrote: Andrea C. Vaiana wrote: Hello everyone, I'm trying to find a bet

[gmx-users] REMD demuxing

box to the *xtc file. further, the statement "not available: x" seems curious to me. thanks for any help, merc -- Andrea C. Vaiana Post Doctoral Research Associate Theoretical Biology and Biophysics Mail stop K710, T

Re: [gmx-users] force field optimization

I published a program to do this type of things a few years ago... check it out and see if it matches your needs. It is available on the cpc web site. There is a version that works with amber and charmm, should be easy to adapt to Gromacs... or run it with amber and use the obtained forcefield in g