[gmx-users] error with genion

[Dallas Warren]

Note you have two different file names there, topol.top and topolo.top

Should copy and paste commands and output to avoid typos, which may be the case here.

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
+61 3 9903 9304
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail. 

> -----Original Message-----
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se
> [mailto:gromacs.org_gmx-users-bounces at maillist.sys.kth.se] On Behalf Of
> shahab shariati
> Sent: Friday, 8 August 2014 2:46 PM
> To: gmx-users
> Subject: [gmx-users] error with genion
> 
> Dear gromacs users
> 
> I add 4 Cl ions to my system using genion:
> 
> genion -s ions.tpr -o system.gro -p topol.top -nn 4 -nname CL -nq -1
> 
> I encountered with following error:
> 
> No line with moleculetype 'SOL' found the [ molecules ] section of file
> 'topol.top'
> 
> I checked topolo.top file:
> 
> [ molecules ]
> ; Compound        #mols
> DPPC       128
> drg          4
> 
> SOL              6382
> 
> How to resolve this problem.
> 
> Any help will highly appreciated.
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