On Tue, Jan 05, 2016, Levan Tsereteli wrote:
>
> I am facing very strange problem when using tleap. Just want to generate
> .crd, mol2 and prmtop with tleap but whenever system that I want to
> build is bigger then 125 units its giving me segmentation error.
What happens if you leave out the "saveMol2" parameter? Amber's mol2 support
is mainly for single residues, and there may be problems with mulitple-residue
mol2 processing. Or, there may be limits on the sequence command.
Generally, it would be great to know *when* the segfault is happening.
What happens if you add a savePdb command (and nothing else) right after
the sequence command? Do you get a reasonable PDB file?
....dac
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Received on Tue Jan 05 2016 - 05:30:06 PST
