[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
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84084 Fisciano (SA)
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Phone: +39 089 969583
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E-mail: amarabotti at unisa.it
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