[gmx-users] forcefield with shell model and buckingham potentials

Lubos Vrbka shnek at tiscali.cz
Thu Jul 7 10:17:48 CEST 2005

hi guys,

we've parametrized a potential for zeolite, water and ions based on 
shell model and buckingham potentials. now, we'd like to use it in gromacs.

has anyone done something similar, i.e. shell model and/or buckingham 
potential based force field? if yes, would it be possible to get the 
force field files? i'm a newbie to gromacs and some teplate would 
definitely help to get me started...

as soon as the files will be ready, we intend to make it available to 
others, so it would be added to the "contributed parameters" section of 
the gromacs website...

thank you for your help. best regards,

_ at _"

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