[gmx-users] free energy (coordinates file)

parto haghighi parto.haghighi at gmail.com
Sat Jan 7 11:12:28 CET 2012

Dear GMX users,
I have a question about 6th gromacs tutorial.
I have to perform 5 steps of calculation contain:
1) EM-1
2) EM-2
3) NVT
4) NPT
5) Product MD
for each Lambda value from 0 up to 1.
I have a .gro file contains initial coordinates of my system : drg.gro
For lambda = 0.00 I have done 5 steps (above) and its results is : md0.gro
(from MD-Production)
my question is should I use md0.gro for next calculations ( lambda = 0.05)
or I have to apply drg.gro file again?
Thank in advance.
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