[AMBER] Stability MMPBSA

From: Parker de Waal <Parker.deWaal.vai.org>
Date: Tue, 31 Mar 2015 01:44:20 +0000

Hi Everyone,

Iím trying to perform alanine scanning on a GPCR in an explicit POPC membrane to assess energy contribution to protein stability.

Unfortunately, each time I try to run the MMPBSA.py program the following error occurs: https://gist.github.com/anonymous/5ce740cb6d64953b72a9

For input I am using:
-sp 033015.prmtop (solvent complex in membrane)
-cp proteinOnly.prmtop (protein only)
-y traj.nc (traj)
-mc 40.prmtop (residue 40 mutated to ala)

Iíve upload my input files to dropbox and they can be found here: https://www.dropbox.com/s/wpxygrszfdzasw9/mmpbsa.tar.gz?dl=0

Any insight would be truly appreciated.

Best,
Parker

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Received on Mon Mar 30 2015 - 19:00:02 PDT
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