[gmx-users] pull.pdo
xiaoyi li
xiaoyi at xray.bmc.uu.se
Fri Dec 12 14:13:02 CET 2003
Dear users,
What's the meaning of each column of pull.pdo? In the manual it said
that there are forces and positions in it. But I have ten columns in my
file as following:
# AFM 3.0
# Component selection: 1 1 1
# nSkip 1
# Ref. Group 'water'
# Nr. of pull groups 1
# Group 1 'lignin' afmVec 0.000000 0.000000 1.000000 AfmRate 0.000050
AfmK 100.000000
#####
0.000000 1.877096 1.740127 4.295215 2.355149 1.877096 3.048670 1.740127 4.046979 4.295215
0.002000 1.877077 1.740125 4.295197 2.355162 1.877077 3.048640 1.740125 4.046958 4.295197
0.004000 1.877253 1.740325 4.295660 2.355470 1.877253 3.048933 1.740325 4.047388 4.295660
0.006000 1.877312 1.740439 4.295895 2.355684 1.877312 3.049052 1.740439 4.047609 4.295895
0.008000 1.877356 1.740551 4.296117 2.355922 1.877356 3.049136 1.740551 4.047808 4.296117
Thanks in advance!
Xiaoyi
Uppsala University
Sweden
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