[gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

Dear justin, I have made the itp file on a basis of chapter 5 of gromacs. Every things seems fine. my itp file for opls is as follow: ; [ moleculetype ] ; Name nrexcl DRG 3 [ atoms ] ; nr type resnr resid atom cgnr charge mass 1 opls_185 1 DRG HAD 1

Re: [gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

Morteza Khabiri wrote: Dear justin, I have made the itp file on a basis of chapter 5 of gromacs. Every things seems fine. my itp file for opls is as follow: Seems fine is your own evaluation, but if grompp is giving you errors about an incorrect topology, then indeed it is not. Did

[gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

Dear Justin, thanks for your help. The last lines of my grompp are: checking input for internal consistency... calling /lib/cpp... processing topology... Generated 332520 of the 332520 non-bonded parameter combinations Generating 1-4 interactions: fudge = 0.5 Generated 332520 of the 332520 1-4

Re: [gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

* Justin A. Lemkul [EMAIL PROTECTED] [2008-09-10 05:46:07 -0400]: Morteza Khabiri wrote: Dear justin, I have made the itp file on a basis of chapter 5 of gromacs. Every things seems fine. my itp file for opls is as follow: Seems fine is your own evaluation, but if grompp is giving you

Re: [gmx-users] : Incorrect number of parameters - found 4, expected 6 or 12.

Morteza Khabiri wrote: Dear Justin, thanks for your help. The last lines of my grompp are: checking input for internal consistency... calling /lib/cpp... processing topology... Generated 332520 of the 332520 non-bonded parameter combinations Generating 1-4 interactions: fudge = 0.5 Generated