[gmx-users] how to convert a dodecahedric trajectory into a triclinic one?
Anna Marabotti
amarabotti at unisa.it
Wed Jan 16 16:03:11 CET 2013
Dear All,
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
entire trajectory).
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
--
______________________________________________
Anna Marabotti, Ph.D.
Assistant Professor
Department of Chemistry and Biology
University of Salerno
Via Ponte don Melillo
84084 Fisciano (SA)
Italy
Phone: +39 089 969583
Fax: +39 089 969603
E-mail: amarabotti at unisa.it
Skype: annam1972
"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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