[gmx-users] Function type Fourier Dih. not implemented in ip_pert
Dr. Vitaly Chaban
vvchaban at gmail.com
Mon Mar 31 18:17:14 CEST 2014
Exactly. So is there any chance to circumvent the problem?
Function type Fourier Dih. not implemented in ip_pert
Dr. Vitaly V. Chaban
On Mon, Mar 31, 2014 at 5:49 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 3/31/14, 11:35 AM, Dr. Vitaly Chaban wrote:
>> Since I do not couple intramolecular interactions, why those dihedrals
>> play any role?
> The couple-intramol option only applies to intramolecular nonbonded
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA 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 | (410) 706-7441
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