[gmx-users] angle type error
williams.miranda at ucalgary.ca
Thu May 5 04:49:07 CEST 2016
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Justin Lemkul [jalemkul at vt.edu]
Sent: Wednesday, May 04, 2016 8:10 PM
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] angle type error
On 5/4/16 10:06 PM, Williams Miranda wrote:
> Dear Gromacs users
> I want to run a CG simulation of a protein membrane system using GROMACS. I prepared my system using the MARTINI MAKER of CHARMMM-GUI. I ran the first two minimization phases without trouble. But when I am to create the *tpr for the first equilibration phase, I get the following error:
> Fatal error:
> Invalid angle type 10
> I searched in the topology files, but this type of angle hasn't been assigned....
> Do you have any piece of advice? I am using GROMACS 4.6.5
That version is too old to handle that angle type. Upgrade to 5.1.2 and try again.
Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow
Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201
jalemkul at outerbanks.umaryland.edu | (410) 706-7441
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