[gmx-users] CGMD with cut-off Verlet? production run stage

[Peter Kroon]

Hi,


read the paper I sent earlier if you want to be sure. There's also a
version that uses RF or PME, but they're (a bit) slower.

See
http://cgmartini.nl/index.php/force-field-parameters/input-parameters
for the full list.


Peter


On 27-06-17 12:57, Mark Abraham wrote:
> Hi,
>
> You should use force fields the way their designers intended them to be
> used (or how they use them now). Most force fields used with GROMACS should
> not be used with plain Coulomb, hence the note.
>
> Mark
>
> On Tue, Jun 27, 2017 at 12:49 PM Alex Mathew <alexmathewmd at gmail.com> wrote:
>
>> Hi,
>>
>> Based on this mdp
>> http://cgmartini.nl/images/parameters/exampleMDP/martini_v2.x_new.mdp
>>
>> i got NOTE
>>
>>
>>   You are using a plain Coulomb cut-off, which might produce artifacts.
>>   You might want to consider using PME electrostatics.
>>
>> Is this something i need to consider or just ignore?
>> --
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