Hi everyone,
I want to calculate the LJ potential with different Cut-off for simulation in a reduced unit (LJ unit). For example, the cut-off for LJ potential of A-A, A-B, and B-B is 1.12246 (repulsive), 1.12246, and 2.5 （attractive, respectively; However, it seems that the Cut-off only can be set once. How to deal with the problem except tables? Thanks in advance! -- Best Wishes From Suzhou, China Wade ---------------------------------------------------------------------- Wen-de Tian (田文得), Ph. D Email : tianwe...@suda.edu.cn Website : http://scm.suda.edu.cn/pweb/csmpg Center for Soft Condensed Matter Physics and Interdisciplinary Research, Soochow University, Suzhou 215006, China 通讯地址：苏州大学软凝聚态物理及交叉研究中心,苏州市十梓街1号，215006 ---------------------------------------------------------------------- -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/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/Support/Mailing_Lists
