Dear Amber developers,
In my project, I want to modify the Amber sander source codes to
achieve updating the box size in NPT ensemble with my method. Can anyone
tell me which part of the Amber source codes adjusts the size of the
periodic boundary condition box in NPT ensemble during the MD simulation
with sander ? Anyone konws the formula which control the box size changing
under a specific pressure in Amber ? Thanks in advance !
Best,
Jinfeng
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Received on Fri Aug 17 2018 - 01:30:02 PDT
