[gmx-users] 2016H66 force field

Dear All, I would like to know that do we need to change bond lengths and bond angles such as gb_1, gb_18, ga_12 and ga_15 (according to OXY) for MD simulations of CiEj or PEO molecules when we use 2016H66 force field? Thank you. -- Gromacs Users mailing list * Please search the archive at

[gmx-users] Adding ADP parameters to GROMACS amber99sb-ildn ff

Dear gmx-users, because using acpype with the GAFF ff to prepare the topology of ADP leads to unphysical behavior of ADP, in most simulations (even with the correction of https://code.google.com/archive/p/acpype/wikis/FAQ.wiki), I now want to add the ADP parameters from

[gmx-users] How to decide the PRESSURE COUPLING CONSTANT VALUES and TEMPERATURE COUPLING CONSTANT VALUES

Hello list, I am preparing an amorphous sample using GROMACS but i am not able to get the required density of the amorphous polymer. I am having reasonable force field parameters and compressibility factors values. So i am thinking that there must be some error with the coupling constant

Re: [gmx-users] Fwd: how to get .mdp files

On 2/16/18 9:04 PM, neelam wafa wrote: -- Forwarded message -- From: "neelam wafa" Date: 17 Feb 2018 00:57 Subject: how to get .mdp files To: Cc: Hi I am new to this list. I have run the gromacs tutorial

Re: [gmx-users] Print neighbour list

Hi, In the code, it wants you to set GMX_DUMP_NL > 0. And please do everyone a favour and use a version of GROMACS that isn't over five years out of its supported lifetime :-) Mark On Sat, Feb 17, 2018 at 12:07 AM fabio trovato wrote: > Hi, > > I am trying to output