Yamin, Peyman wrote:
Hello,
with pdb2gmx I want to choose the protonation state of a GLN interactively.
When I choose +1 protonation state, I get the following error: Residue 'QLN'
not found in residue topology database. But the program has itself suggested
the QLN as the name of this protonation state!!
Then you've chosen a force field for which the name QLN simply doesn't apply :)
In fact, the only force field with QLN is OPLS.
-Justin
Would be pleased by your comments! cheers, Peyman
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Forschungszentrum Juelich GmbH 52425 Juelich Sitz der Gesellschaft: Juelich
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(stellv. Vorsitzender), Prof. Dr. Harald Bolt, Prof. Dr. Sebastian M. Schmidt
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--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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