[gmx-users] Gromos54a7 FF

Ray, Bruce D bray at iupui.edu
Tue Mar 5 15:02:22 CET 2019

On Mar 5, 2019, at 06:54:06 -0500, Alex <alexanderwien2k at gmail.com> wrote:

> Date: Tue, 5 Mar 2019 06:54:06 -0500
> From: Alex <alexanderwien2k at gmail.com>
> To: gmx-users at gromacs.org
> Subject: [gmx-users] Gromos54a7 FF
> Message-ID:
> 	<CAEDv6u530OP7s6HMTMJ-cdZ0JMBMO-OxMq7OVb27NUpeLkAX1Q at mail.gmail.com>
> Content-Type: text/plain; charset="UTF-8"
> Dear all,
> I would be so appreciated if anybody could give me the Gromos54a7 force
> fields for Pluronic L-31 surfactant (OH-[C2H4O]_2-[C3H6O]_16-[C2H4O]_2-H)?
> PDB file of the molecule is in below links.
> Using topolbuild I am able to get the oplsaa FF, but topolbuild just
> removes all the H atoms with the gromos54a7 FF.
> https://drive.google.com/open?id=15AkoA_aRe_-G6L2UY7CbMM_49ZXojDJI
> Thank you.
> Alex

I'm sorry, but atom types and parameters for gromos54a7 are not available for topolbuild 1.3.1
or any prior version of topolbuild.  Only the following gromos force field definitions are

I am surprised that topolbuild did not give an error message when you attempted to use a
nonexistent file.

Bruce D. Ray, Ph.D.
Associate Scientist
Physics Dept.
402 N. Blackford St., Rm. LD-061
Indianapolis, IN  46202

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