[gmx-users] query about making a pdb file
Jagannath Mondal
jmondal at chem.wisc.edu
Thu Mar 29 06:54:27 CEST 2007
Hi all,
I am a gromacs beginner. I am dealing with a 10-residue molecule
each of which is un-natural amino acid called beta-peptide. I was
wondering whether there is any option of making a PDB file so that I
can use it to prepare the corresponding .gro file in gromacs. I
somehow could generate the cartesian coordinates of the molecule. At
least, can you suggest some software which are free and have mac-
version so that I can generate the coresponding PDB file of the
molecule from the cartesian coordinates.
Thanks,
Jagannath Mondal
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