[gmx-users] NMA

Ruben Martinez Buey ruben at akilonia.cib.csic.es
Tue Apr 8 12:53:00 CEST 2003

Hi all,
I am trying to energy minimize my protein+ligand (5000 atoms) for a
further NMA. Anyway, if the Fmax must be < 0.0001, it´s very slow and it
never ends on my single processor Silicon workstation... Is there any
way to make it faster?
Thanks a lot for your attention,
with best regards,


Rubén Martínez-Buey. PhD student
Protein Function and Structure Dept. Lab. 352
Centro de Investigaciones Biológicas (CIB-CSIC)
C/ Velázquez, 144,  28006  MADRID (SPAIN)
Tlf: +34-91-561 18 00 ext. 4380
Fax: +34-91-562 75 18

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