Dear All,
Suppose my protein complex contains 4 identical subunits, each identical contains a ligand. Although the 4 ligands of every subunit are same compound (for example in each subunit it contains a cAMP), I find from the relative coordinate view the 4 cAMPs are not identical (or there is a slignt rmsd between each cAMP). In this way should I have antechamber to produce the ligand files base on the pdb of 1 single cAMP and then just tell AMBER there are 4 identical cAMPs for md, or I should produce the ligand files from every cAMP for md?
I am looking forward to getting a reply from you.
Brett
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Received on Mon Apr 18 2016 - 02:30:03 PDT
