Hi,
What version of AmberTools are you using, and what patches have been
applied?
-Dan
On Wed, Mar 26, 2014 at 9:10 AM, Ilias Patmanidis <
patmanidis.ilias.gmail.com> wrote:
> Dear AMBER users,
>
> I was using xleap to generate topology and coordinate files for a specific
> system
>
> >source leaprc.ff12SB
> >loadamberparams frcmod.ionsjc_tip3p
> >test = loadPDB test.pdb
> >addions test Na+ 2
> >solvatebox test TIP3PBOX 10
> >savePDB test test1.pdb
> >saveamberparm test test.prmtop test.crd
>
> Information about the vdw box size was missing from the end of the
> generated test.crd.
>
> This problem did not appear in tleap. The same commands gave a different
> output with the vdw box size included in the end of the file.
>
> Best regards,
> Ilias Patmanidis
>
> --
> Ilias Patmanidis
> University of Geneva, Switzerland
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>
--
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Mar 26 2014 - 08:30:04 PDT
