[gmx-users] Cut off setting

[Wende Tian]

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     : tianwende at 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
----------------------------------------------------------------------