[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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