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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Received on Wed Mar 26 2014 - 08:30:03 PDT
