[gmx-users] MD simullations with Morse potential

[fantasticqhl]

Hi Tsjerk,

Thanks! Is morse potential working for you?

I am using Gromos 53a6 force field with spc water, and the Gromacs 
version is 4.5.4, and I also tried 4.6.5.

I just tried to do a simulation for just one residue (Gly) with water. 
However, all tests were not working!

Could you tell me how you did the equilibrations? Thanks very much!


All the best,
Qinghua

On 04/27/2014 11:30 AM, Tsjerk Wassenaar [via GROMACS] wrote:
> Hi Qinghua,
>
> I have run simulations with morse bonds a while back, in combination with
> the Gromos 45a3 force field. I only had a few of those bonds, though.
>
> Which Gromacs version are you using and which force field?
>
> Cheers,
>
> Tsjerk
> On Apr 27, 2014 10:44 AM, "fantasticqhl" <[hidden email] 
> </user/SendEmail.jtp?type=node&node=5016089&i=0>> wrote:
>



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