[gmx-users] How to modify the initial CG reduction structure to the usable one matching the .itp atom designation?
anaome at fundp.ac.be
Tue Jan 5 13:38:34 CET 2010
By what mean does one correct te CG structure file generated with the
atom2cg script to the final structure matching the .itp file atom types?
I mean, how to convert the PDB-like format with generic atom types (BN0,
SC1, SC2, SC3) of atom2cg output file to the proper .gro structure file
with the corresponding atom types generated with seq2itp?
Could someone help?
Thanks in advance
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