[gmx-users] CHARMMff using GROMACS 4.5.3

his mistake? Thanks! -- Gideon Lapidoth, M.Sc candidate Hemi Gutman Biophysics Lab Department of Biochemistry & Molecular Biology George S. Wise Faculty of Life Sciences Tel Aviv University Israel 69978 <http://ashtoret.tau.ac.il/> Tel: (972-3) 640-9824 -- gmx-users mailing list

[gmx-users] Re: positive Leonard Jones Energy (Mark Abraham)

ce field to sample similar chemical ensembles with correct frequencies. They're not parameterized such that the absolute values of any energies or energy components means anything, and one has to work hard to demonstrate anything sensible about energy differences, too. What were you hop

[gmx-users] positive Leonard Jones Energy

Hi all, I ran g_energy in order to calculate the LJ energy between a pip2 (Phosphatidylinositol 4,5-bisphosphate) molecule and the solvent using GROMACS 4.0.7. the pip2 molecule is very polar and the avg. coulomb energy value I got between the ligand and solvent was ~ 3100 KJ. The solvent include

[gmx-users] Invitation to connect on LinkedIn

LinkedIn Gideon Lapidoth requested to add you as a connection on LinkedIn: -- Chinmay, I'd like to add you to my professional network on LinkedIn. - Gideon Accept invitation from Gideon Lapidoth http://www.linkedin.com/e/-8