[gmx-users] P-LINCS and nstlist
stachura.slawomir at gmail.com
Wed May 18 17:35:38 CEST 2011
I am not sure if I understood properly how P-LINCS should parametrized for simulation. In manual it's written that "one coordinate communication step is required for the initial LINCS step and one for each iteration"; so as coordinate communication is tightly binded to neighbor searching, does it mean that nstlist should equal "1"? I mean - should neighbor list be updated every simulation step for proper use of constraints in parallel with LINCS?
I have searched for the answers in mailing list, but I was unsuccesful in finding tone.
Thanks in advance,
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