[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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