[gmx-users] some confusion about cut-off radius in parameters

[张明敏]

Dear all;

When I set the simulation parameters, I found that there are many settings about the cut-off radius in mdp file. After looking at manual in detail, I still have several questions:





1，In the manual 4.5.5(p18 3.4.2, pair lists generation), there are concepts of "rshort" and "rlong". Are they the same meaning of "rlist" and "rlistlong"? 




2, what is the relationship between "rcoulomb"("rvdw")  and "rlistlong"  ?


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 Zhang Mingmin
 Chao Yang, Beijing , CHINA
University of China Academic of Science (UCAS)
MAIL: zhamgmingmin15 at mails.ucas.ac.cn