On 08/28/2013 07:38 PM, Justin Lemkul wrote:
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),
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
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
On 8/28/13 1:21 PM, Albert wrote:
On 08/28/2013 07:07 PM, Justin Lemkul wrote:
WARNING 2 [file helix.itp, line 1]:
Too few parameters on line (source file toppush.c, line 1501)
Looks concerning - what's line 1?
here is the initial lines:
; position restraints for part of C-alpha of Prot
On 08/28/2013 07:07 PM, Justin Lemkul wrote:
WARNING 2 [file helix.itp, line 1]:
Too few parameters on line (source file toppush.c, line 1501)
Looks concerning - what's line 1?
here is the initial lines:
; position restraints for part of C-alpha of Protein
[ position_restraints ]
; i fun
On 8/28/13 11:48 AM, Albert wrote:
Hello:
I am constraining one part of the protein and trying to generate md.tpr with
command:
grompp -f md.mdp -c npt4.gro -n -o md.tpr
it works fine in 4.6.3, but it failed in 4.5.5 with following warning messages:
WARNING 1 [file md.mdp, line 65]:
Unk
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