Re: [gmx-users] Timestep and force field

varsha gautham wrote: Dear gmx user, Am a beginner to gromacs,I have a few questions to be clarified before getting started with gromacs. You probably want to start by reading a textbook (or the gromacs manual) and some review papers. 1.on giving pdb2gmx gromacs offers force fields fom

Re: [gmx-users] Timestep and force field

Varsha: have you subscribed to the list yet? Please do so if you haven't. On Sun, 2009-03-22 at 13:18 +0400, varsha gautham wrote: > 3. hen how to choose a timestep for a simulation like a picosecond or > a nanosecond?What is a timestep? > > I have gone through many materials and stuffs related t

Re: [gmx-users] Timestep and force field

On Sun, Mar 22, 2009 at 2:52 PM, varsha gautham wrote: > Dear gmx user, > > > Am a beginner to gromacs,I have a few questions to be clarified before > getting started with gromacs. > > 1.on giving pdb2gmx gromacs offers force fields fom 0 to 6 and also i > read like opls-aa is the best forcefield

[gmx-users] Timestep and force field

Dear gmx user, Am a beginner to gromacs,I have a few questions to be clarified before getting started with gromacs. 1.on giving pdb2gmx gromacs offers force fields fom 0 to 6 and also i read like opls-aa is the best forcefield for protein? why is that so?What kind of forcefield do i have to choo

[gmx-users] Timestep and force field

Dear gmx user, Am a beginner to gromacs,I have a few questions to be clarified before getting started with gromacs. 1.on giving pdb2gmx gromacs offers force fields fom 0 to 6 and also i read like opls-aa is the best forcefield for protein? why is that so?What kind of forcefield do i have to choo