[gmx-users] Error in system_inflate.gro coordinates does not match

[RINU KHATTRI]

hello everyone
thanks justin it works but problem is at the same place even one more
problem ligand is out side the protein and protein is out side the popc
kindly help


On Sat, Jul 19, 2014 at 7:39 PM, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 7/19/14, 9:56 AM, RINU KHATTRI wrote:
>
>> hello everyone
>>
>> i know justin -D is for minim.mdp not for topology i used simply D
>>
>
> That's still wrong.  There should be no "D" or "-D" in the #ifdef
> statement; it's cpp macro syntax.  Please look at the block I provided
> before:
>
>
> #ifdef STRONG_POSRES
> #include "strong_posre.itp"
> #endif
>
> Use it exactly.  Copy and paste it.  Invoke it with "define =
> -DSTRONG_POSRES"
>
>
> -Justin
>
> --
> ==================================================
>
> Justin A. Lemkul, Ph.D.
> Ruth L. Kirschstein NRSA 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
>
> jalemkul at outerbanks.umaryland.edu | (410) 706-7441
> http://mackerell.umaryland.edu/~jalemkul
>
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