owen vickery
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owen vickery
Hi, It is easier to add the fragments and use the swap command. I'll add the HIS tautomers to the fragments when I have time. pdb2gmx is very clunky and...
Sorry for the slow reply. I've added a fragment set for oplsaa, which contains the alt resname for CYS. hopefully that will work. I don't know what DA is, therefore...