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<P><FONT SIZE=2>Dear Gromacs Users!<BR>
<BR>
I have a CYS residue with a palmitoyl group on that, replacing the thiol hydrogen. When I downloaded the hydrated membrane bilayer model, GROMACS understood the DPP code of the.pdb file as DPPC. This molecule contains both<BR>
regular and phophate-ester groups, but it was an independent unit. What will<BR>
GROMACS do with a thiol ester on CYS, and how would the program handle the aliphatic chain?<BR>
I assume that I will have to modify some parameter files and adding MD parameters for the C-S-C(=O)-C-C subunit. Please give me some clues where and how to start.<BR>
<BR>
Thanks, Peter Nagy</FONT>
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