Re: [gmx-users] Re: Differences in rmsd with different force field

2011-02-22 Thread Justin A. Lemkul
bharat gupta wrote: Since the paper that I am following says that for that protein (GFP) 1ns simulation is enough as other people carried out 10ns for the same protein and rmsd follows the same pattern which is being shown by that 1ns simulation .. When were those studies published? With m

Re: [gmx-users] Re: Differences in rmsd with different force field

2011-02-22 Thread bharat gupta
Since the paper that I am following says that for that protein (GFP) 1ns simulation is enough as other people carried out 10ns for the same protein and rmsd follows the same pattern which is being shown by that 1ns simulation .. So I decided to do a 3ns simulation the RMSD that I got was same

Re: [gmx-users] Re: Differences in rmsd with different force field

2011-02-22 Thread Justin A. Lemkul
bharat gupta wrote: Hi I did a simulation of 3 ns with OPLS AA 2001 Force Field for a protein of 230 aa and also I carried out a simulation of 10ns for the same protein but with different force field (Amber 2006) . I obtained the rmsd of the trajectories of both simulation , which I found t

[gmx-users] Re: Differences in rmsd with different force field

2011-02-22 Thread bharat gupta
Hi I did a simulation of 3 ns with OPLS AA 2001 Force Field for a protein of 230 aa and also I carried out a simulation of 10ns for the same protein but with different force field (Amber 2006) . I obtained the rmsd of the trajectories of both simulation , which I found to be different ?? i.e. 3ns