# Mdp files of Charmm-gui server **URL:** \ **Category:** User discussions\ **Tags:** mdp-parameters\ **Created:** [August 23, 2022, 3:04pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663 "2022-08-23T15:04:30Z")\ **Posts on this page:** 9\ **Page:** 1
**Author:** ![dr\_m\_ganj](https://avatars.discourse-cdn.com/v4/letter/d/9f8e36/32.png) [@dr\_m\_ganj](https://gromacs.bioexcel.eu/u/dr_m_ganj)\ **Post date:** [August 23, 2022, 3:04pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/1 "2022-08-23T15:04:30Z")
GROMACS version: GROMACS modification: Yes/No Dear Justin, _Charmm-gui_ provided me with a series of _mdp_ files for a membrane, but the parameters in those files are different from your tutorial. Are the _mdp_ files generated by _Charmm-gui_ valid and good enough to do an MD simulation? Can I use these _mdp_ files? For example, there isn’t PBC option in these files. Can I expand the _nsteps_ option in these files and do a simulation? Is it correct? Thanks ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [August 23, 2022, 3:58pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/2 "2022-08-23T15:58:58Z")
The `.mdp` files that CHARMM-GUI provides are appropriate. I’m not going to comment on individual keywords or small differences without more context and actual details. ---
**Author:** ![dr\_m\_ganj](https://avatars.discourse-cdn.com/v4/letter/d/9f8e36/32.png) [@dr\_m\_ganj](https://gromacs.bioexcel.eu/u/dr_m_ganj)\ **Post date:** [August 23, 2022, 9:39pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/3 "2022-08-23T21:39:41Z")
Thank you, dear Justin. ---
**Author:** ![Dulaj](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/dulaj/32/3408_2.png) [@Dulaj](https://gromacs.bioexcel.eu/u/Dulaj)\ **Post date:** [November 13, 2023, 7:24am UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/4 "2023-11-13T07:24:47Z")
I tried to build a bilayer-protein system using charm-gui. I ticked to gromacs input at step 6. However, charm-gui did not give gromacs input files like .mdp files. It was giving files such as .inp several times when I tried. Is this a bug? I clearly ticked Gromacs. Forcefield was CHARMM36 ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [November 14, 2023, 1:40pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/5 "2023-11-14T13:40:24Z")
If you’re having problems with CHARMM-GUI, reach out to their developers. But I have never seen an issue in which inputs were requested and not generated at this phase. Use the Job Retriever to revisit the final step and try to generate the GROMACS inputs again. ---
**Author:** ![kaylensuee](https://avatars.discourse-cdn.com/v4/letter/k/a698b9/32.png) [@kaylensuee](https://gromacs.bioexcel.eu/u/kaylensuee)\ **Post date:** [January 17, 2024, 11:21pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/6 "2024-01-17T23:21:08Z")
Did you ever reach out or find a solution? This is also happening to me. ---
**Author:** ![jalemkul](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/jalemkul/32/18_2.png) [@jalemkul](https://gromacs.bioexcel.eu/u/jalemkul)\ **Post date:** [January 18, 2024, 12:08am UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/7 "2024-01-18T00:08:18Z")
Again I would emphasize that this is not a GROMACS problem and therefore not solvable on this forum. If you have an issue with CHARMM-GUI, their developers will need to address it. ---
**Author:** ![Dulaj](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/dulaj/32/3408_2.png) [@Dulaj](https://gromacs.bioexcel.eu/u/Dulaj)\ **Post date:** [January 18, 2024, 12:53pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/8 "2024-01-18T12:53:54Z")
Hi, I had mistakenly reported that there were no Gromacs input files. I looked only at the output bar of the Charm-gui web interface at the final step. In that there were no Gromacs output files were reported as output. However, there were Gromacs files in the zipped output file I downloaded at the final step. Surely, you can find the Gromacs input files in the Zipped folder if you correctly tick the Gromacs option at the particular step. Sorry for my mistake! ---
**Author:** ![Dulaj](https://dub1.discourse-cdn.com/flex017/user_avatar/gromacs.bioexcel.eu/dulaj/32/3408_2.png) [@Dulaj](https://gromacs.bioexcel.eu/u/Dulaj)\ **Post date:** [January 18, 2024, 1:09pm UTC](https://gromacs.bioexcel.eu/t/mdp-files-of-charmm-gui-server/4663/9 "2024-01-18T13:09:26Z")
hi @dr_m_ganj I am using CHARMM-GUI generated files during my undergraduate research. As an inexperienced student, CHARMM-GUI was still very helpful to me. However, I think an experienced researcher could change those parameters appropriately. Also, I think PBC are considered by default by GROMACS even if the PBC option is not in the MDP file. I have seen that researchers have used CHARMM-GUI-generated files in several publications found in the literature, with or without modifications.