Hi everybody! Some more electrostatic questions, if I may..
1) I think I understood the meaning of the coul-LR term now, but would like to be sure.. In PME, it would be the (short range) real sum term computed between rlist and rcoul, whereas interactions after rcoul would be computed in reciprocal space, in a term that is only computed for the entire system (coul. recipr.). Therefore it is not possible to get coul. recipr. for part of the system.. 2) Would coul-LR be the long range "interaction to dielectric x environment" contribution, in the reaction field method? Thank you very much for your help!! Pascal ******************************************************************************* Pascal Baillod (PhD student) ******************************************************************************* Swiss Federal Institute of Technology EPFL Tel: +41-(0)21-693-0322 Institute of Chemical Sciences and Engineering , Fax: +41-(0)21-693-0320 Laboratory of Computational Chemistry and Biochemistry [EMAIL PROTECTED] Room BCH 4121, Avenue Forel, http://lcbcpc21.epfl.ch CH-1015 Lausanne ******************************************************************************* _______________________________________________ gmx-users mailing list gmx-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
