[gmx-users] pull.ppa doesn't work

[accomp lin]

hi everyone,

I;m using umbrella sampling to calculate PMF

My system is DPPC + water + protein
In pull.ppa, I set runtype = umbrella ，reftype = com_t0，
K1   = 5000  ，Pos1  = 0.0 0.0 6.0 

However this came out when I finally type mdrun :
 

Reading parameter file pull.ppa
' for variable verbose, using 'no'
Next time use one of : 'no' 'yes'
' for variable runtype, using 'afm'
Next time use one of : 'afm' 'constraint' 'umbrella'
' for variable reftype, using 'com'
Next time use one of ; 'com' 'com_t0' 'dynamic' 'dynamic_t0'
.....................
.....................
.....................
 
——————————————————————————————
program mdrun, VERSION 3.3.3
source code file: pullinit.c, line: 215

Fatal error:
in the index fileGN
——————————————————————————————

It seems that mdrun doesn't recognize what I set in pull.ppa
And I don't know what's wrong with my index file, it looks all right to me.
So, can any body tell me what is going on?
 
Thanks!


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