Hi, I wish to extract atomic charge information from the trajectory. If it’s possible, how can I do so? Thanks.
Yip Yew Mun (Mr) | PhD Research Scholar | Division of Chemistry & Biological Chemistry
School of Physical & Mathematical Sciences | Nanyang Technological University | Singapore 639798
Tel: (+65) 97967803 | Email: yipy0010.e.ntu.edu.sg | GMT+8h
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Received on Tue Nov 18 2014 - 19:00:02 PST