From: Deng, Jinxia (Nancy) (jinxianancy.deng_at_zoetis.com)
Date: Sun May 22 2016 - 14:03:37 CDT
Try cgenFF to get charm parameters
From: Natnael Doilicho [mailto:nbd_at_uchicago.edu]
Sent: Friday, May 20, 2016 8:07 PM
To: Namd Mailing List
Subject: namd-l: Parameters for HS(CH2)11NH2
I'm looking for CHARMM-compatible forcefield parameters for the molecule HS(CH2)11NH2, a sulfur attached to a longish alkane chain terminated by NH2.
Does anyone know where I can find such parameters or perhaps similar parameters that analogize closely, like de-protinated L-Lysine?
Natnael B. Doilicho
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