PACE Force Field and NAMD 2.10

From: Fotis Baltoumas (
Date: Thu Mar 12 2015 - 06:18:07 CDT


I'm not sure whether this is the appropriate place to ask but do you know
if there are any plans to implement the PACE force field into NAMD 2.10?
At present, the available PACE-modified source code is for NAMD 2.9 only.
It would be nice to be able to run PACE simulations with all the new
features 2.10 offers. Considering that the MARTINI part of PACE already
exists in 2.10, what extra steps should be done to implement the united
atom/CG combination part?
For the record, I tried to use the modified 2.9 source offered with PACE
to compile 2.10 and, as expected, the results were disastrous. Has anyone
tried to modify the 2.10 source code for PACE? If you tried ans succeeded,
what did you do?

Fotis Baltoumas

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