[gmx-users] H-atoms in .hdb file
Justin A. Lemkul
jalemkul at vt.edu
Wed Jun 27 12:28:44 CEST 2012
On 6/27/12 3:38 AM, Shima Arasteh wrote:
> As Justin suggested me, I added the FOR residue to the .rtp file of FF and then added the FOR as a protein in residuetypes.dat . FOR is the first residue in protein chain. I chose none as the N-terminus . But after processing the .pdb file the FOR is identified itself but "not" identified as protein.
How so? What line did you add to residuetypes.dat, and what was the exact
problematic output of pdb2gmx?
Justin A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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