COMBINE_COLVAR

Ali rnalo... at gmail.com
Wed Dec 15 18:15:35 CET 2010


Dear CP2K Users,

I am trying to perform metadynamics on a combination of collective
variables. Within the section COMBINE_COLVAR, one can input a
functional form for the combination of CV's. My functional form
appears to be *too long* for the FUNCTION tag in COMBINE_COLVAR and I
get the following error:

 *** 17:45:01 WARNING in input_val_types:val_get err=-300  val_get
will      ***
 *** truncate value, value beginning
with                                    ***
 *** '(CV1-2)^2+(CV2-2)^2+(CV3-2)^2+(CV4-2)^2+(CV5-2)^2+(CV6-2)^2+
(CV7-2)^2  ***
 *** (CV8-2)^2+(CV9-2)^2+(CV10-2)^2+(CV11-2)^2+(CV12-2)^2+(CV13-2)^2+
(CV14-  ***
 *** )^2+(CV15-2)^2+(CV16-2)^2+(CV17-2)^2+(CV18-2)^2+(CV19-2)^2+
(CV20-2)^2+  ***
 *** CV21-2)^2+(CV22-2)^2+(CV23-2)^2+(CV24-2)^2+(CV25-2)^2' is too
long      ***
 *** for
variable
***
 COLVARS| COMBINING FUNCTION : (CV1-2)^2+(CV2-2)^2+(CV3-2)^2+(CV4-2)^2+
(CV5-2)^2+(CV6-2)^2+(CV7-2)^2+(CV8-2)^2+
 COLVARS| VARIABLES : CV1 CV2 CV3 CV4 CV5 CV6 CV7 CV8 CV9 CV10 CV11
CV12 CV13 CV14 CV15 CV16 CV17 CV18 CV19 CV20 CV21 CV22 CV23 CV24 CV25

I thought an easy fix would be change the default_string_length to a
larger number but that didn't seem to do the trick.

Any help/suggestions on how to get around this would be appreciated.

Ali


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