From: Hua Wong (wong_at_ebgm.jussieu.fr)
Date: Tue Dec 02 2003 - 02:11:10 CST
I run a minimisation under NAMD and need the output data to be used under
GROMACS.
I tried using flipbinpdb on the different output files NAMD returned me.
Either it says nothing but gives me no .pdb files, either it gives me
error messages:
Size of PROT_out.xsc is not 4 plus a multiple of 24 #for the .xsc type
This program flips byte-ordering of 8-byte doubles #for when I try to
suggest an .pdb output filename using :
"flipbinpdb DARC_out.* DARC_out.pdb" *stands for coor or vel
Is it my bin that have problems? Or is it the flipbinpdb module that write
the output files somewhere else?
Thanks
Woong Hua
-- ---------------------------------------------------------- | Wong Hua (Student) | | Equipe de Bioinformatique Genomique et Moleculaire | | INSERM U436 Universite ParisVII _____________________| | 2 place Jussieu case 7113 | Tel:None | | 75251 PARIS Cedex 05 | Fax:None | ----------------------------------------------------------
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