[gmx-users] Question about pdb2gmx

[Justin Lemkul]

On 7/27/15 6:48 AM, Eric Smoll wrote:
> Hello gromacs users,
>
> As far as I understand, pdb2gmx only works for the residues/molecules
> defined in aminoacids.rtp. It cannot read coordinate data and infer the
> atomtype, charge, and connectivity from the structure file atomnames,
> correct?
>

Correct.

-Justin

-- 
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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
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Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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