[gmx-users] build up ffgmx2 forcefield topology file

[刘 松柏]

hi, everyone:
	I'm  wondering what I did. When I run 'grompp' to minimize energy of a 
small molecule, there're many warnings"No default Angle types, using 
zeroes", so I decided to add the parameter myself. I got the ffgmx2 
topology using pdb2gmx with option "-dummy hydrogens", and I think since 
the hydrogens are dummy I can copy corresponding parameters from ffgmx 
topology file which was built from PRODRG and delete items including 
hydrogens. Does it make sense?

cheers, 
Songbai Liu 
 


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