Re: Re: [gmx-users] Difference in the Forcefields and speed...

2007-01-04 Thread Mark Abraham
> If I do the MD studies using Gromacs 3.1 and Gromacs 3.3 with differennt > forcefields like ffg43a1 and ffG53a5 respectively in the same simulating > conditions how different would be my results ? or will there be any > difference ? In theory both forcefield models are accurate representations o

Re: Re: [gmx-users] Difference in the Forcefields and speed...

2007-01-03 Thread sharada
Hello, Thankyou Drs Mark Abraham and Caterina Arcangeli for the useful suggestions. They worked for me. I could cat the two trr files and calculate the backbone g_rms values. I have to yet see how much they deviate with the original structures. I have couple of q