periole at inka.mssm.edu
Wed Aug 13 00:46:01 CEST 2003
For the DPP/DPPC problem you just have to modifu the name in the pdb
file. Substitution within a vi session. Becarefull to modify "DPP_" and not only
"DPP". The number of caracters is important.
For the CYS, you have to define a new residue CYS with the extra part
(palmitoyl). Using existing parameters, the charges by ab initio or existing
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users