[gmx-users] diffusion coeffecient/constant

Hi, I am working with DOPC lipid molecules, I was searching the literature for the value of the diffusion coeffecient for DOPC. I could not find one. can some one tell me what the value is is it close to (8.6 ± 0.2) × 10−12 m2/s? Ramya Parthasarathi ramya.sar...@aol.com -- gmx-users

Re: [gmx-users] pressure profiles

thanks Ramya Parthasarathi ramya.sar...@aol.com -Original Message- From: Dallas Warren To: Discussion list for GROMACS users Sent: Tue, Dec 20, 2011 11:53 am Subject: RE: [gmx-users] pressure profiles It will be saved in the .edr file. Use g_energy to extract the data you are

Re: [gmx-users] Voronoi tessellation

Thanks a lot , will try that Ramya Parthasarathi ramya.sar...@aol.com -Original Message- From: Justin A. Lemkul To: Discussion list for GROMACS users Sent: Fri, Dec 16, 2011 11:16 am Subject: Re: [gmx-users] Voronoi tessellation Ramya Parthasarathi wrote: > Hi >

[gmx-users] pressure profiles

Hi, I am simulating DOPC lipid molecules in water, i would like to plot the pressure profiles, for the systems i have . Can someone tell me , is there any option in GROMACS which can give the pressure profile? Ramya Parthasarathi ramya.sar...@aol.com -- gmx-users mailing listgmx-users

[gmx-users] Voronoi tessellation

Hi I am working with phospholipid bilayers and I would like to plot the 2D Voronoi Tessellation , can any one tell me how to start about it. Thanks. Ramya Parthasarathi -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please

Re: [gmx-users] calculating the pmf in constrained force simulations

yes exactly thats what I am trying to do.. Thanks a lot for the suggestion Ramya On Sat, Nov 26, 2011 at 7:26 AM, wrote: > Do you mean that you do constrained position simulations and want to know > how to process the force? If so, read about thermodynamic integration (TI). > I mostly work with

[gmx-users] calculating the pmf in constrained force simulations

Hi I do constrained force simulations and i have the pullf.xvg and pullx.xvg files.. I want to know how to calculate the force for each simulation and i how to integrate the forces.. can some one help me. Ramya -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/li