[gmx-users] Eror: No parallel Ewald use PME instead!
ali.alizadehmojarad at gmail.com
Wed Jun 4 12:42:08 CEST 2014
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?
What makes you think the PME algorithm, rather than your choices of
settings for it (and twenty other things), is the problem?
On Wed, Jun 4, 2014 at 7:57 AM, Ali Alizadeh <ali.alizadehmojarad at
>* 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
*>>* Ali Alizadeh
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