[AMBER] setBox command in sleap AMBER11

From: Antje Wolf <antje.wolf.scai.fraunhofer.de>
Date: Thu, 17 Feb 2011 13:02:52 +0100 (CET)

Does anybody know what happened to the setBox command in sleap in AmberTools 1.4? I am using sleap because I want to make use of the write14scale setting. Unfortunately, sleap does not recognize the setBox command that was working well in tleap.

Is there any replacement for this command in sleap or is there another way to add a periodic box to a non-standard solvent box read in as a PDB file?

Thanks in advance,

Antje Wolf 
Fraunhofer-Institute for Algorithms and Scientific Computing (SCAI) 
Department Bioinformatics 
Schloss Birlinghoven 
D-53754 Sankt Augustin 
Tel.: +49 2241 14 2552 
E-mail: antje.wolf.scai.fraunhofer.de 
Internet: http://www.scai.fraunhofer.de 
AMBER mailing list
Received on Thu Feb 17 2011 - 04:30:04 PST
Custom Search