Re: [gmx-users] pmf.xvg

Hi dear I send for you a pmf.xvg file. I dont know first and second column what are they and about units. please help me. Thanks in advance. - Looking for last minute shopping deals? Find them fast with Yahoo! Search.6.225000e-035.830745e-01 6.67

[gmx-users] generating a box containing NaOH + water

Hi All, Can somebody help me in generating a box containing NaOH + water for studying the interaction of a small molecule with this solvent? S.Supakar West Bengal University of Technology India ___ gmx-users mailing listgmx-users@gromacs.org http://w

Re: [gmx-users] pmf.xvg

Farzad Molani wrote: Hi everybody I'm getting pmf.xvg by g_wham and in the pmf.xvg I'm having two column but I do'nt know what are they and what about units? What do the headers in the .xvg file say? Mark ___ gmx-users mailing listgmx-users@gro

[gmx-users] pmf.xvg

Hi everybody I'm getting pmf.xvg by g_wham and in the pmf.xvg I'm having two column but I do'nt know what are they and what about units? please help me. thank you and merry christmas. - Never miss a thing. Make Yahoo your homepage.__

Re: [gmx-users] deleted edr file

On Thu, 27 Dec 2007 17:14:31 +0800 Yang Ye <[EMAIL PROTECTED]> wrote: Use mdrun -rerun (will not be a complete recovery). You MUST use the trr file to rerun. The xtc file is not precise enough and your energies would be wrong. You also need to change the mdp for the update of the neighbor lis

Re: [gmx-users] center of mass removal

On Thu, 27 Dec 2007 08:55:03 +0100 "Tsjerk Wassenaar" <[EMAIL PROTECTED]> wrote: Hi, Just to add my 5 cEUR. The flying ice cube will be avoided using linear comm removal on the whole system (default), which will retain diffusion of the peptide in the solvent. Thanks Tsjerk for clarifying my

Re: [gmx-users] deleted edr file

Use mdrun -rerun (will not be a complete recovery). pragya chohan wrote: Dear users I by mistake deleted the edr file generated from production run. Is there any way to recover or generate the edr file again? It's abou

[gmx-users] deleted edr file

Dear users I by mistake deleted the edr file generated from production run. Is there any way to recover or generate the edr file again? _ Post free property ads on Yello Classifieds now! www.yello.in http://ss1.richmedia.in/recurl.