I am currently running simulations on a pure TIP4Pew box, and when I try to
load my prmtop file into ptraj in order to re-image it and obtain the radial
distribution function, the residue labels (WAT) are displayed but then ptraj
crashes. I can load TIP3 models into ptraj without any trouble, but TIP4
and TIP4Pew models do not seem to "agree" with ptraj. I even performed a
test of ptraj and it passed. Does anyone know of a reason why this happens?
Thank you so much!!!
Katrina
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Received on Wed Oct 21 2009 - 19:30:02 PDT
