On 15/12/2011 1:05 PM, ??? wrote:
Dear gromacs users
I used Gromacs in order to get a MD simulation of
Glycoproteion.now I have got the Glycoproteion's PDB file,When I want
to MD by GMX,it gave a Warnning:Fatal error: Residue "...."not found
in residue topology database.
So check out
http://www.gromacs.org/Documentation/Errors#Residue_'XXX'_not_found_in_residue_topology_database
like it probably suggested.
And I know it was because of the force field,I want to know which
force field should be choose in GMX,And where I can get the force
field?? /Any suggestions?
/ That's all.
Your literature searching for similar published work should probably
have suggested some good options.
Mark
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