[gmx-users] entangled polymer chain

[Justin Lemkul]

On 10/13/14 6:27 PM, unipa wrote:
> hi,
> i wold know how in this file what does means the element in the III and IV colums?
>
> ffoplsaa.rtp:
>
> ; Polyethylene - this is an internal residue
> [ Eth ]
>    [ atoms ]
>      C1    opls_136    -0.120    1
>      H11   opls_140     0.060    1
>      H12   opls_140     0.060    1
>      C2    opls_136    -0.120    2
>      H21   opls_140     0.060    2
>      H22   opls_140     0.060    2
>
> where i have to save this file?
>

It is an .rtp file; see manual section 5.6.1.

-Justin

-- 
==================================================

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
http://mackerell.umaryland.edu/~jalemkul

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