Dear all,
I have a problem in generating XPLOR topology and parameter table for a small molecule, 3'-5' cGAMP (cyclic guanine-adenosine monophosphate). I started out with crystal structure that contains this molecule, PDB ID: 5cfm. (It has residue name of "4BW"). I took this molecule and run xplo2d, and I got the topology and parameter tables (attached). But I noticed that these tables do not include any proton, and I need the proton since I will be using them to compute an NMR structure. So I would like to ask whether anyone know any way to generate the proton parameters? Thank you very much. Best regards, Fernaldo R. Winnerdy
4bw.par
Description: 4bw.par
4bw.top
Description: 4bw.top
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