[gmx-users] using gromacs for protein site-mutagenesis study

Ross KK Leung ross at cuhk.edu.hk
Fri Aug 29 22:44:09 CEST 2008

While replacing large amino acids to small ones may be easy (simply removing
redundant atoms=rows in PDB), but how about the reverse direction? Would
anybody has any ideas in re-supplementing missing atoms (e.g. glycine to


Thanks a lot


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