Problem with topology using FIST module.

Filip Formalik filip.f... at gmail.com
Mon Aug 17 16:02:09 UTC 2015


During NVE simulation i obtain such error:

 ************************************************************
 *** ERROR in check_subsys_element (MODULE topology_util) ***
 ************************************************************

 ***  Unknown element for KIND                                        ***
 *** <Y    0.1139083822    0.0693988117    -0.0087306842>. This problem can 
be ***
 *** fixed specifying properly elements in PDB or specifying a KIND   ***
 *** section or getting in touch with one of  the developers!         ***

 *** Program stopped at line number 1371 of MODULE topology_util ***
 
However my KINDs are specified as follows:

   &SUBSYS
    &CELL
      ABC 11.92 10.32302 10.59
    &END CELL
    &COORD
           Y    0.1139083822    0.0693988117    -0.0087306842
           Y    0.0188794583    0.0222607431    3.5426706725
...
           F    7.3362485079    1.9049991884    3.4329320001
           F    7.3501381454    1.9265275725    7.1587344471
    &END COORD
    &KIND Y
      MASS    88.90584
      ELEMENT Y
    &END KIND
    &KIND Na
      MASS    22.98976
      ELEMENT Na
    &END KIND
    &KIND F
      MASS    18.99840
      ELEMENT F
    &END KIND
   &END SUBSYS

I have no idea where my mistake is. Can anyone help me?
Cheers,
Filip
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