[gmx-users] Ligand bond

abelius abelius at gmail.com
Tue Oct 18 17:51:59 CEST 2005

Dear all,

I'm trying to run a simulation of a ligand bound to an enzyme. To 
produce the *.itp I used the PRODRG server.
All goes well a first, but when I try to do an EM the bond between 
enzyme and protein breaks.

Does anyone knows how I can fix this ?

thx in advance,


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