[gmx-users] mean force.

[lammps lammps]

Hi everyone,

I use umbrella sample and g_wham to get potential of mean force. However, I
also want to compute the mean force. How can I deal with this? Can I get it
through calculating the average of data in pullf.xvg file?

Thanks in advance.

Wende

------------------
;spring point is equal to ref_group0+pull_init+time*pull_rate*pull_vec，
pull                      = Umbrella        ;umbrella,constraint
pull_geometry             = Distance        ;distance
,direction,cylinder,position
pull_dim                  = Y Y Y
pull_group0               = DEN1
pull_group1               = DEN2
pull_nstxout              = 500
pull_nstfout              = 50
pull_init1                = 5.7
pull_k1                   = 1000
-------------------
# This file was created Thu Feb  4 00:51:24 2010
# by the following command:
# mdrun_mpi -rdd 1.4 -s npt.tpr -c npt.gro
#
# mdrun_mpi is part of G R O M A C S:
#
# Groningen Machine for Chemical Simulation
#
@    title "Pull force"
@    xaxis  label "Time (ps)"
@    yaxis  label "Force (kJ/mol/nm)"
@TYPE xy
0.0000 -28.8555
1.6000 -19.2897
3.2000 -18.59
4.8000 -20.7866
6.4000 -26.1605
8.0000 -42.8572
9.6000 -50.7524
11.2000 -73.9647
12.8000 -74.2521
14.4000 -102.284
16.0000 -96.5184


-- 
wende
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