[gmx-users] palmitoyl

[Xavier Periole]

palmitoyl
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
calculations

XAvier
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20030813/81c9f460/attachment.html>