[gmx-users] Parameter dump

Dallas Warren Dallas.Warren at monash.edu
Mon Oct 20 01:14:08 CEST 2014


Post generation of the tpr file you can use ...

gmx dump -s file.tpr

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 

> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of
> Eric Smoll
> Sent: Monday, 20 October 2014 4:58 AM
> To: gromacs.org_gmx-users at maillist.sys.kth.se
> Subject: [gmx-users] Parameter dump
> 
> Hello Gromacs users,
> 
> Is there an easy, readable way to dump all parameters loaded by gromacs
> when a topology files is read in? Will "-debug" do this?
> 
> Best,
> Eric
> --
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