On 1/11/10 4:39 AM, KM wrote:
The parameters for ffgmx have been developed by Christian Kandt. I
have it. I need appropriate data specific for G53a6 which is obviously
lacking. Some atom types changed plus there are G53a6 potentials that
need to be added. I could try to add the lacking data e.g
The parameters for ffgmx have been developed by Christian Kandt. I
have it. I need appropriate data specific for G53a6 which is obviously
lacking. Some atom types changed plus there are G53a6 potentials that
need to be added. I could try to add the lacking data e.g. with the
paper of G53a6 develope
On 1/10/10 6:16 PM, KM wrote:
Hello,
I would like to simulate bacteriorhodopsin embedded into a membrane. I
think ffG53a6 is a good choice - force field is quite new (at least
newer than ffgmx) and there are topologies available for the most
popular lipids, for example the set developed by And
Hello,
I would like to simulate bacteriorhodopsin embedded into a membrane. I
think ffG53a6 is a good choice - force field is quite new (at least
newer than ffgmx) and there are topologies available for the most
popular lipids, for example the set developed by Andreas Kukol.
To run a simulation I
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