From: Alexander Adams (xadams_at_umich.edu)
Date: Fri Jul 28 2017 - 12:53:24 CDT
Hi all,
I was wondering if someone could update me on the current status of a PACE
FF compatible version of NAMD. The most recent NAMD documentation I found
regarding PACE (
http://www.ks.uiuc.edu/~whan/PACE/PACEnew/NAMD/paceForNAMD/user-guid-namd-2.pdf)
identified a modified version of NAMD 2.9 as the requirement for PACE
simulations, though a paper I read (CHARMM-GUI MDFF/xMDFF Utilizer for
Molecular Dynamics Flexible Fitting Simulations in Various Environments by
Yifei et. al) reports performing PACE simulations in NAMD 2.10. Any update
on which build I should use and any relevant details would be greatly
appreciated. Thanks in advance.
Best,
Alex Adams
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