AMBER Archive (2003)

Subject: Parameters: additive, lone pair

From: William Wei (william.wei_at_utoronto.ca)
Date: Mon Mar 10 2003 - 08:57:35 CST

Hi all:

In leap parameter loading files, what does additive mean? And in what
situation I should use additive and lone pairs? Could someone give me a
general idea or point me to find a literature to read? Thanks.

If I just delete the lone pairs in the pdb file, does it make difference?
Thank you for your attention.

Regards,

William

-------------------------
William Wei
Faculty of Pharmacy
19 Russell Street
Toronto, ON. M5S 2S2
Tel: 1-416-946-8469
Fax: 1-416-978-8511
Email: william_at_phm.utoronto.ca
       william.wei_at_utoronto.ca