[gmx-users] how to convert a dodecahedric trajectory into a triclinic one?
amarabotti at unisa.it
Wed Jan 16 16:03:11 CET 2013
I performed a MD simulation of a protein into a rhombic dodecahedric
box. Now I'd need to convert this dodecahedric box into a triclinic one
(I mean, not only for one frame to obtain a .gro file, but for the
I think that it would be possible using trjconv command, but I have some
trouble in doing it, I don't understand which are the correct flags to use.
Could anybody give me some suggestion about this problem?
Many thanks in advance and best regards
Anna Marabotti, Ph.D.
Department of Chemistry and Biology
University of Salerno
Via Ponte don Melillo
84084 Fisciano (SA)
Phone: +39 089 969583
Fax: +39 089 969603
E-mail: amarabotti at unisa.it
"When a man with a gun meets a man with a pen, the man with the gun is a dead man"
(Roberto Benigni, about Roberto Saviano)
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