On 8/28/13 1:36 PM, Albert wrote:
On 08/28/2013 07:25 PM, Justin Lemkul wrote:
Looks normal, so without context of how it is #included, there's not much to
diagnose here.
here is my #include in topol.top file:
; Include Position restraint file
#ifdef POSRES
#include "restrain.itp"
#endif
I first generate restrain for all the protein CA by genrest command, after that
I delete the atoms which I don't want to restrain from output restrain.itp.
Probably that's the problem? Maybe I should set the unwanted restrain atoms into
0 force constant instead of delete them from restrain.itp file?
That's not the problem. It's complaining about whatever is on line 1 (not clear
from the previous message if the comment line is #1 or a blank line), so
assuming that the #ifdef is in the right place (probably is, or the error would
be different), it's possible that there's some weird hidden character that is
causing the error.
-Justin
--
==================================================
Justin A. Lemkul, Ph.D.
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
jalem...@outerbanks.umaryland.edu | (410) 706-7441
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