[gmx-users] Re: gmx-users Digest, Vol 30, Issue 18
Mark.Abraham at anu.edu.au
Tue Oct 10 07:32:41 CEST 2006
Stefan Schöbel wrote:
> Hi folks,
> I am running Gromacs under Linux Ubuntu. My question: where is my cpp located? It is not under /usr/bin/cpp.
> And the other question: I try to simulate a protease together with its lipopeptide inhibitor, so I used Prodrg to get the files of the inhibitor but I get warnings that some atom types are not known, for example "HO".
> How do I know which are the correct atom type descriptions?
By chemical analogy with correct descriptions.
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