I am trying to create prmtop and inpcrd files using Urey-Bradley.
So, first question is, does AT15 package (tleap) have a way to generate
such system from a given PDB file (like I do with Amber14SB)?
Or, does AT15, in any of it’s hundreds of test, have an example of prmtop
with U-B parameters?
Last option, suppose I got an Charmm psf file with U-B, I understand that
‘chamber’ is the way to convert it to Amber format, but where’s ‘chamber’
in AT15?
Many thanks,
Alan
--
Alan Wilter SOUSA da SILVA, DSc
Senior Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588
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Received on Wed Oct 28 2015 - 03:00:04 PDT
