[AMBER] Loading .mol2 file in sleap

From: r smith <rsl04f.gmail.com>
Date: Wed, 30 Mar 2011 09:12:15 -0400

Hello,

I am using sleap in AmberTools version 1.4 to create prmtop and inpcrd files
for use with the amoeba force field. After loading the .mol2 file
em_ac.mol2 with the command:

mol = loadmol2 em_ac.mol2

I receive the following error:

sleap: data.cpp:276: void mort::mcmpdata_t::set_s(const mort::hashid_t&,
int, const std::string&): Assertion `absid >= 0 && absid < m_idcounter'
failed.
Aborted

However, the file is loaded without error when using tleap. I have attached
the .mol2 file. Do you notice anything in the file that would cause sleap
to fail?

Thank you,

Rob


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Received on Wed Mar 30 2011 - 06:30:03 PDT
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