[gmx-users] No automatic terminus detection
Matthias Ernst
Matthias.Ernst2 at student.kit.edu
Thu Dec 8 14:55:41 CET 2011
Hi Mark,
thanks for your reply.
[...]
> It knows that termini have to be different from mid-chain residues.
[...]
That answers my question, I think. I wanted to ask if it's possible to
just use whatever residue name is given without detection ofend- or
midchain residues.
I guess you answer tells me that this is impossible, so I have to change
my system.
That's not really what I expected (in fact, from a programmer's view, I
think it should be no problem to leave out terminus search) but thanks
for your help.
Matthias Ernst
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