thanks mark. i guess it took some time answering all these questions.
and i think you are right. trying to interpret each computed energy term
seperately in a physical manner is senseless. especially since i'm not
really deep inside the force field implementation stuff. however, with
one of
On 20/10/2011 7:25 PM, Vedat Durmaz wrote:
thanks mark. i guess it took some time answering all these questions.
and i think you are right. trying to interpret each computed energy
term seperately in a physical manner is senseless. especially since
i'm not really deep inside the force field
Am 20.10.2011 15:01, schrieb Mark Abraham:
On 20/10/2011 7:25 PM, Vedat Durmaz wrote:
thanks mark. i guess it took some time answering all these questions.
and i think you are right. trying to interpret each computed energy
term seperately in a physical manner is senseless. especially since
hey guys,
i'm a really confused at the moment. reading the gromacs manual 4.5.4
(GM) and the paper introducing GAFF did not provide insight into this
issue which drives me crazy! maybe some advanced gromacs user can do so.
up to now, i have simulated very few different systems using amber
On 19/10/2011 12:34 AM, Vedat Durmaz wrote:
hey guys,
i'm a really confused at the moment. reading the gromacs manual 4.5.4
(GM) and the paper introducing GAFF did not provide insight into this
issue which drives me crazy! maybe some advanced gromacs user can do so.
up to now, i have
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