Andrew DeYoung wrote:
Hi,
Many thanks, Justin, for your time. As a first try, I am going ahead with
your proposed option (1): make my own local copy of spce.itp and adjust the
call (the #include) in the topology file. I have zeroed the charges in this
local copy of spce.itp and tried to prep
Hi,
Many thanks, Justin, for your time. As a first try, I am going ahead with
your proposed option (1): make my own local copy of spce.itp and adjust the
call (the #include) in the topology file. I have zeroed the charges in this
local copy of spce.itp and tried to prepare for energy minimizatio
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