Hi,
I am trying to place two molecules (EDTA and G3.5 PAMAM dendrimer) in a single water box to perform a competing molecule study. I am then planning on adding calcium and sodium as the counter-ions. Thus far I have tried two different methods of loading the two molecules into the box. First I manually combined the two molecules into a single mol2 file. Second I tried turning EDTA into a residue and adding it in xLEaP using the addions command. Neither of these methods worked for placing the two molecules in the same water box. I am wondering if anyone has experience with placing two molecules in the same water box and could offer some advice or point me to an appropriate tutorial?
Thanks,
David E. Jones
Graduate Student, Department of Biomedical Informatics
THE UNIVERSITY OF UTAH
421 WAKARA WAY, SUITE 140
SALT LAKE CITY, UT 84108
Phone: 801-870-5704
e-mail: davide.jones.utah.edu
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Received on Mon Oct 12 2015 - 12:00:03 PDT
