Dear Justin,
Thank you very much for your suggetions.
BW
Fugui
At 2013-03-27 22:15:23,"Justin Lemkul" wrote:
>On Wed, Mar 27, 2013 at 10:11 AM, xiao wrote:
>
>> Dear Justin,
>> Thank you very much for your reply.
>> I found that the speed of implict MD is slower that explict MD. For
>> examplex
On Wed, Mar 27, 2013 at 10:11 AM, xiao wrote:
> Dear Justin,
> Thank you very much for your reply.
> I found that the speed of implict MD is slower that explict MD. For
> examplex, the speed of an explict MD for a protein of 300 amino acids is
> about 3ns per day, however, the implicit solvent is
On Wed, Mar 27, 2013 at 9:27 AM, xiao wrote:
> Dear Gromacs users:
> I did a protein MD using implicit solvent and Amber 99SB force filed.
> However, i found that the implicit solvent is not faster than explicit
> solvent, and what is worse is that it is also not accurate.
> The system is a prote
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