[gmx-users] Mutagenesis

ement, but as a check of the feasibility of the complex)? Does anyone have a better/easier way to do this? Thanks a lot for your help, Esther -- Esther Caballero-Manrique Unit of Cancer Pathology Center for Excellence in Research on Aging University "G. D' Annunzio" Via Colle de

Re: [gmx-users] surface area

_ gmx-users mailing listgmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php -

Re: [gmx-users] Using g_energy in a noninteractive mode script

t to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php -- Esther Caballero-Manrique Graduate Teaching Fellow Chemistry Department 1253 University of Oregon Eugene, OR 97403 (USA) 1-541-346-2485 ___ gmx-use

Re: [gmx-users] Free energy calculations

http://md.chem.rug.nl/education/Free-Energy_Course/index.html http://www.dillgroup.ucsf.edu/~jchodera/group/wiki/index.php/Free_Energy:_Tutorial Both very "decent". Esther Caballero-Manrique Guenza Group University of Oregon Eugene, OR (USA) Viswanadham Sridhara wrote: Hello gmx

Re: [gmx-users] Viscosity in PE

. Hope it helps, Esther Esther Caballero-Manrique Guenza Group University of Oregon Eugene, OR usa 541-346-2485 Alessandro Mattozzi wrote: Dear Gromacs-users I have already run some MD, both in NVT and NPT, of Polyethylene (1000 atoms-backbone). I would like to estimate the viscosity of my syst

Re: [gmx-users] theory of MD

[EMAIL PROTECTED] wrote: Dear all, My question is on the theory of MD. I actually could not find any material which describes in detail about the time integration algorithm. 1) I wanted to know why the time integration algorithm has to be used, I mean the practical benefits of it. I want the

Re: [gmx-users] Attempting small molecule . . .

d be appreciated. > > Regards, Marc > ___ > gmx-users mailing listgmx-users@gromacs.org > http://www.gromacs.org/mailman/listinfo/gmx-users > Please don't post (un)subscribe requests to t