MM using AMBER forcefield
gaia di paolo
gai... at gmail.com
Wed Mar 2 14:51:56 UTC 2011
Dear All,
i'm trying to perform a MM run using AMBER forcefield, but i'm getting
the following error:
------------------------------------------------------------------------------------------------------------------------------
*** ERROR in check_subsys_element ***
*
*** Unknown element for KIND <CX2>. This problem can be fixed
specifying ***
*** properly elements in PDB or specifying a KIND section or getting
in ***
*** touch with one of the
developers! ***
===== Routine Calling Stack =====
6 connectivity_control_check_element_name
5 connectivity_control
4 topology_control
3 fist_init
2 fist_create_force_env
1 CP2K
CP2K| Abnormal program termination, stopped by process number 0
------------------------------------------------------------------------------------------------------------------------------
Actually i don't have any KIND CX2 in my forcefield.
What 's the meaning?
Thank you in advance
Best regards
Gaia
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