[gmx-users] NMR restrained MD
Rama Krishna Koppisetti
ramkishna72 at gmail.com
Tue Sep 10 00:11:46 CEST 2013
I included 1 DMPC molecule parameters in the file should I need to include
128 molecules parameters in the file .rtp.
On Mon, Sep 9, 2013 at 4:43 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 9/9/13 5:37 PM, Rama Krishna Koppisetti wrote:
>> Hi Justin,
>> I merge two molecules as a single molecule type. Now I'm trying to do
>> energy minimization of the system, getting errors like
>> Fatal error: [file topol.top, line 55130]:
>> No default Proper Dih. types
>> Any idea for this type of errors.
> The force field does not have parameters for whatever dihedral is listed
> on line 55130 in the topology.
> Justin A. Lemkul, Ph.D.
> Postdoctoral Fellow
> Department of Pharmaceutical Sciences
> School of Pharmacy
> Health Sciences Facility II, Room 601
> University of Maryland, Baltimore
> 20 Penn St.
> Baltimore, MD 21201
> jalemkul at outerbanks.umaryland.**edu <jalemkul at outerbanks.umaryland.edu> | (410)
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