On 10/17/13 1:01 PM, sunyeping wrote:
Dear Gromacs users,
I am trying to add ions to my system using:genion -s ions.tpr -o solv_ions.gro
-p topol.top -pname NA -nname CL -np 8
but it returns a error message saying:
Fatal error:
No line with moleculetype 'SOL' found the [ molecules ] section of file
'topol.top'
I checked the topol.top file, but SOL is indeed under [ molecules ] section:
[ molecules ]
; Compound #mols
Protein_chain_A 1
Protein_chain_B 1
DRG 1
SOL 86574
I know it problem has been disscussed here before, but I cann't fix it out with
the avialable information. Could you help me with it?
You probably have a non-Unix newline character somewhere. Run the .top file
through dos2unix and try again.
-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
==================================================
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
* Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
* Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
