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jrgissing

Issues with Improper Atom Ordering in TopoTools 1.9 for LAMMPS

1

Hello, I have been using TopoTools version 1.9 and encountered an issue when using the "topo guessimpropers" command. Specifically, the central atom of the improper (the one with 3 bonds)...

allotrust

I get the error `can't read "type": no such variable` whenever I try to use `topo addcrossterm`. I think `$type` should be deleted from this line of the proc `::TopoTools::addcrossterm`...

jeffcomer

Error "can't read "cmaptmp": no such variable" when trying to write gmx top

1

Hi everyone, I am trying to generate gmx topologies for my protein, which so far worked great. But I got a bug recently that I could not solve thus far....

kpounot