[gmx-users] File input/output error: algorithm_parameters.mdp

[Justin Lemkul]

On 4/1/15 4:12 PM, Poncho Arvayo Zatarain wrote:
>
> Hello, i´m working in a tutorial to generate a tpr file and i´m using grompp, my mdp file, .pdb and .top file, -o and .tpr file.  I´m using this command for grompp: grompp
> -f dppc128.mdp -c dppc.pdb -p topol_dppc.top -o dppc128_1.tpr
> And it appears two errors: File input/output error: algorithm_parameters.mdp

The file isn't in the working directory.  I feel like I just said this not too 
long ago...

> Fatal error:
>
> Topology include file "dppc.itp" not foundAnd actually i have the dppc.itp inside a file called gromos53a6_lipid.ff with more itp files
>   	

If it's in a subdirectory, then the #include statement needs to be accurate.

#include "dppc.itp"

and

#include "gromos53a6_lipid.ff/dppc.itp"

are not equivalent.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
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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