[gmx-users] Eror: No parallel Ewald use PME instead!

[Ali Alizadeh]

Dear Mark,

Thank you for your reply.

When you do not change any parameters except one thing in mdp file(PME to

ewald as the paper said that)and then your system converges, for me it
means the problem is related to

choosing the right method for  calculation of the electrostatic
potential energy. What's your point on it?


-----

Mark wrote:

Hi,

What makes you think the PME algorithm, rather than your choices of
settings for it (and twenty other things), is the problem?

Mark


On Wed, Jun 4, 2014 at 7:57 AM, Ali Alizadeh <ali.alizadehmojarad at
gmail.com <https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users>>
wrote:

>* Dear All users,
*>>* I have encounter this error:
*>>* -------------
*>* Fatal error:
*>* No parallel Ewald. Use PME instead.
*>* --------------
*>>* I used 8 cores and gromacs 4.5.5, for doing my calculations. I should use
*>* ewald method because
*>>* my system can not converge using PME it heats up my system. Are there any
*>* suggestions?
*>>>>* --
*>* Sincerely
*>>* Ali Alizadeh
*>* --*


-- 
Sincerely

Ali Alizadeh