Hi,
First of all thanks for the looking over my files and the advice in
http://archive.ambermd.org/201510/0095.html.
I ran checkValidity in parmed.py on my prmtop/rst7 files and it came back with a missingdisulfide error. It seemed to have found a couple of S atoms from Cysteines within 3A of each other. However, I had a look at the pre-leap pdb and could not find any pairs of Cys which would allow a <3A distance between their S atoms.
Has anyone come across this before? There should not be any disulphide bridges in my structure so I’m tempted to ignore it, but nevertheless this is bugging me.
Any info will be much appreciated.
Cheers,
Kavin
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Received on Tue Oct 27 2015 - 12:00:05 PDT
