Dear GMX users, This is Hyungjun Kim.
I try to modify the len= nard jones parameter explicitly. I knew that gromacs provide the com= bination rule such as sigma_12=(sigma_1 + sigma_2 ) /2 like. I fin= d that some specific interaction is quite important, so I want to give expl= icit sigma_12 value for some combination. Could you give me any advi= ce? Thank you in advance. Regards, 김형�= � 드림 --- Hyungjun Kim, Quantum and Computation= al Chemistry Laboratory, Department of Chemistry, KAIST, Daejeon 305= -701, Korea e-mail: [1]hyungjun96= @kaist.ac.kr or [2]jun0906@kai= st.ac.kr phone : 042-350-2861 mobile phone : 010-8537-5051 web : http://qclab.kaist.ac.kr References Visible links 1. file:///tmp/3D"mailto:[email protected]"; 2. file:///tmp/3D"mailto:[email protected]"; -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
