jalemkul at vt.edu
Mon Feb 3 19:17:01 CET 2014
On 2/3/14, 12:52 PM, tarak karmakar wrote:
> "want to run grompp command but give afatall error:not found NH3L atomtype"
> It is giving a clear message about the atom type present in you lipid
> Please check the atom types present with the force field and accordingly
> change that in your initial coordinate file.
Atom types are not relevant to the coordinate file. The problem lies completely
within the construction of the force field.
> Similar problems have been discussed several times in the mailing list.
> On Mon, Feb 3, 2014 at 11:00 PM, nafas <mjm136525 at yahoo.com> wrote:
>> I am tring with mixture pope/popg for simulatie membrane bacteria that i
>> use of gromos53a6 force field.
>> what force field should i use?charmm force field?
>> in program have been used pope.itp ,popg.itp, .....files .
>> I want to run grompp command but give afatall error:not found NH3L
>> grompp -f minim.mdp -c ......gro -p ....top -o em.tpr
>> I dont know what is problem?
>> May you guide me?
>> Gromacs Users mailing list
>> * Please search the archive at
>> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
>> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>> * For (un)subscribe requests visit
>> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
>> send a mail to gmx-users-request at gromacs.org.
Justin A. Lemkul, Ph.D.
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
More information about the gromacs.org_gmx-users