Re: [gmx-users] simulation with amber10 and gromacs 4.5.1

2011-09-15 Thread Tsjerk Wassenaar
Hey vrk. You should carefully compare all run parameters that were active in either program. Sending the parameter files to the list might raise some useful suggestions. Cheers, Tsjerk On Sep 14, 2011 3:53 PM, "Justin A. Lemkul" wrote: vijayaraj ramadoss wrote: > > Hello Users, > > Previous I

Re: [gmx-users] simulation with amber10 and gromacs 4.5.1

2011-09-14 Thread Justin A. Lemkul
vijayaraj ramadoss wrote: Hello Users, Previous I have done simulation of small protein using Amber10 with ff99sb force field. I did the same calculation using the gromacs 4.5.1 with amber ff99sb force field. I found a loop segment takes much more fluctuation with gromacs simulation and whi

[gmx-users] simulation with amber10 and gromacs 4.5.1

2011-09-14 Thread vijayaraj ramadoss
Hello Users, Previous I have done simulation of small protein using Amber10 with ff99sb force field. I did the same calculation using the gromacs 4.5.1 with amber ff99sb force field. I found a loop segment takes much more fluctuation with gromacs simulation and which was not observed with the