On Sat, Jul 01, 2017, Hirdesh Kumar wrote:
>
> I have prmtop and inpcrd files of my protein ligand complex. Is there any
> way to save ligand parameters in frcmod and prepin format?
Look at the writeFrcmod and writeOFF commands in parmed. (We are trying
to deprecate the prepin format, and .off should work for most workflows.)
[Aside: if you really need prepin, it's complex, but I think you could
do this:
use parmed to create a .off file
use tleap to convert this to .mol2 format
use antechamber to convert to .prepi format
No guarantees--see if you can avoid needing a prepin file.]
....dac
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Received on Sun Jul 02 2017 - 13:30:03 PDT
