I think the local pressure can only be calculated with a modified unsupported version of gromacs that you can download. However, this was only done with gromacs version 3.0 not even 3.3
-----Original Message----- From: gmx-users-boun...@gromacs.org [mailto:gmx-users-boun...@gromacs.org] On Behalf Of Jose Javier Lopez Cascales Sent: Friday, March 27, 2009 9:14 PM To: gmx-users@gromacs.org Subject: [gmx-users] localp Hi Guys, May anyone tell me how to calculate the local pressure in a lipid bilayer using Gromacs? In this context, I knew about the existence of g_localp, but it is missed in the new versions of Gromacs. In addition, is it possible to extract the force tensor Fij for all the atom pairs of a certain system from the simulated trajectory? Thank you very much in advance for your assistance, Javier -- **************************************************************** Dr. Jose Javier Lopez Cascales Profesor Titular de Universidad Grupo de Bioinformatica y Macromoleculas (BioMac) Area de Quimica Fisica Universidad Politecnica de Cartagena Campus de Alfonso XIII, Aulario II 30203 Cartagena, Murcia Spain Phone....: +34-968-325567 Fax......: +34-968-325931 Skype....: jjlopezcascales e-mail...: javier.lo...@upct.es website: http://www.upct.es/~biomac/javier.html **************************************************************** _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php This email is confidential and may be privileged. If you are not the intended recipient, please delete it and notify us immediately. Please do not copy or use it for any purpose, or disclose its contents to any other person. Thank you. _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
