[Adun-users] Unable to link system H2OContainer

I tried to run the simulation. Minimization went fine, but got this error.


AdunCore.log file looks like this :

Linking from simulation at SimulationOutput/Minimisation1.simulation
        No trajectory specified - defaulting to active
        This is at
file:/cbbl/users/deepak/simulations/mac_2kxn_with_RNA_maestro_without_minimization/SimulationOutput/Minimisation1.simulation/Trajectory0/
        Systems to link not specified - defaulting to all: H2OContainer,
2kxnB_maestroreduce_xleap_fixed
        Linking to last checkpoint (1001)
        Linked coordinates of system 2kxnB_maestroreduce_xleap_fixed
        Linked velocities of system 2kxnB_maestroreduce_xleap_fixed
        Unable to link system H2OContainer. See error log.

AdunCore.errors file looks like this :

2012-01-18 20:13:44.581 AdunCore[7501] Force field Amber99SB
2012-01-18 20:13:44.717 AdunCore[7501] Force field Amber99SB
2012-01-18 20:13:44.940 AdunCore[7501] Force field GAFF
2012-01-18 20:13:45.343 AdunCore[7501] Stored URL is
file://localhost/cbbl/users/deepak/simulations/mac_2kxn_with_RNA_maestro_without_minimization/SimulationOutput/Minimisation1.simulation/
GSCBufferString
2012-01-18 20:13:45.343 AdunCore[7501] Decode data URL
file://localhost/cbbl/users/deepak/simulations/mac_2kxn_with_RNA_maestro_without_minimization/SimulationOutput/Minimisation1.simulation/
and path
/cbbl/users/deepak/simulations/mac_2kxn_with_RNA_maestro_without_minimization/SimulationOutput/Minimisation1.simulation/
2012-01-18 20:13:46.719 AdunCore[7501] Replaced coordinates of system
2kxnB_maestroreduce_xleap_fixed with those from link
2012-01-18 20:13:46.726 AdunCore[7501] Replaced velocties of system
2kxnB_maestroreduce_xleap_fixed with those from link
2012-01-18 20:13:46.957 AdunCore[7501] Unable to set coordinates for
H2OContainer using link
2012-01-18 20:13:46.957 AdunCore[7501] Incompatible number of elements
2012-01-18 20:13:46.958 AdunCore[7501] Detected error at top level -
Simulation exiting
2012-01-18 20:13:46.958 AdunCore[7501] Error details follow
2012-01-18 20:13:46.958 AdunCore[7501] Logging error from domain
AdunCore.ErrorDomain
2012-01-18 20:13:46.958 AdunCore[7501] Error code 13
2012-01-18 20:13:46.958 AdunCore[7501] Description - Unable to set
coordinates for H2OContainer using link
2012-01-18 20:13:46.958 AdunCore[7501] Detail - The two systems do not
contain the same number of elements
Processing link {simulation = SimulationOutput/Minimisation1.simulation; }
~

~

~



-- 
Deepak Kumar

This message has been automatically forwarded to you by the Adun team 
http://adun.imim.es
_______________________________________________
Adun-users mailing list
[EMAIL PROTECTED]
https://mail.gna.org/listinfo/adun-users