[gmx-users] Fibril not restrained?
jalemkul at vt.edu
Thu Jun 7 21:28:27 CEST 2018
On 6/7/18 2:28 PM, Angelina Malagodi wrote:
> I’m using 2beg.pdb and a modified version of the 2lmn.pdb fibril for several systems. The fibrils are quickly collapsing after the first step of production, even after including the posre restraints are called. I added the restraints by including:
> ; Include Position restraint file
> #ifdef POSRES_A
> #include “posre_Protein_chain_A.itp
Without and end quote, this is syntactically incorrect. Note also that
(at least on my view) your double quote is a stylized character,
implying a non-plain text editor, which will not be parsed correctly.
It's a weird "silent" problem but I have seen it before.
Justin A. Lemkul, Ph.D.
Virginia Tech Department of Biochemistry
303 Engel Hall
340 West Campus Dr.
Blacksburg, VA 24061
jalemkul at vt.edu | (540) 231-3129
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