[CP2K:4613] ALMO

Joe Greenstone green... at pobox.com
Wed Oct 23 05:07:01 UTC 2013

Thanks, Rustam. 

> 1. assign unique molecule names (MOL1, MOL2, MOL3) to split large 
molecules into smaller ones

Has someone tried this for a protein molecule? If so, what strategy was 
used to split the molecule into smaller ones?   
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20131022/3ac3b41d/attachment.htm>

More information about the CP2K-user mailing list