Hi NWChem users,
I'm trying to run some SMD calculations. As a starting point I used the example given in the web site.
However, it gave me the following.
library name resolved from: .nwchemrc
library file name is: <
/panfs/pfs.acf.ku.edu/scratch/hiranya/src/ecce-v7.0/apps/rhel5-gcc4.1.2-m64/3rd
party/nwchem/usr.local.lib.nwchem/libraries/>
Summary of "ao basis" -> "" (cartesian)
------------------------------------------------------------------------------
Tag Description Shells Functions and Types
---------------- ------------------------------ ------ ---------------------
* 6-31G* on all atoms
cosmo_input: read unknown keyword:
do_cosmo_smd
------------------------------------------------------------------------
cosmo_input: unknown keyword 911
------------------------------------------------------------------------
There is an error in the input file
------------------------------------------------------------------------
For more information see the NWChem manual at
Hope that someone can help me with this issue.
Thanks
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