Ha, I meant tleap.
Sorry!
yong
On 3/14/17, 12:36 PM, "Yong Duan" <duan.ucdavis.edu> wrote:
For some reason, it reports wrong “# of bonds connecting hydrogen atoms” when it loads prepi file, but reports correctly when it loads prepc. This is true for atom types started with “h”. I think those start with “H” are fine.
A work around is to use prepc. Perhaps, antechamber should somehow bias towards prepc until there is a fix to tleap.
Is this an old bug that people have reported repeatedly?
yong
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Received on Tue Mar 14 2017 - 13:00:03 PDT
