[gmx-users] How to extend correctly pulling simulation?

mhviet at ifpan.edu.pl mhviet at ifpan.edu.pl
Mon Jun 22 15:20:16 CEST 2009

Hi all,
  I am trying to stretch protein using gromacs 4.0 umbrella options.
(please see mdp file in attachment).
 This is quite large 136 amino acids protein which I want to stretch
completely using sets of mdp files with 250000 numbers of steps.  To
perform these simulations I have to be able to continue my MD simulation
after each successful run. Could you give me advice which options I
should add or change to perform these simulations in a correct way.

Thanks a lot in advance

Maksim Kouza

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