[CP2K:2715] Re: single point problem
power... at gmail.com
Fri May 14 23:49:14 CEST 2010
Problem occurs while converting the original pdb file. Original pdb
file does not include connectivities and this caused some problems
during my works before so I reconvert them to pdb structure via babel,
and the program has forgotten to add the Ligand file names.
I have readded the pdb file, doing the corrections you asked me to do.
I hope this one works.
You received this message because you are subscribed to the Google Groups "cp2k" group.
To post to this group, send email to cp... at googlegroups.com.
To unsubscribe from this group, send email to cp2k+uns... at googlegroups.com.
For more options, visit this group at http://groups.google.com/group/cp2k?hl=en.
More information about the CP2K-user