[gmx-users] Need help creating md.mdp for silica(quartz)?

constraints = all-bonds constraint-algorithm = lincs And sorry if I missed similar topic in mailing list, but I couldn't find anything similar. -- Yours sincerely, Ekatherina O. o...@isc-ras.ru -- Gromacs Users mailing list * Please search the archive at http://www.gromac

Re: [gmx-users] Need help creating md.mdp for silica(quartz)?

Dynamics Monash Institute of Pharmaceutical Sciences, Monash University 381 Royal Parade, Parkville VIC 3052 dallas.war...@monash.edu - When the only tool you own is a hammer, every problem begins to resemble a nail. -- Yours sincerely, Ekatherina O. o...@isc-ra

Re: [gmx-users] Need help creating md.mdp for silica(quartz)?

e layer doesn't move. Regards, Debashish -- Yours sincerely, Ekatherina O. o...@isc-ras.ru -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support

Re: [gmx-users] Need help creating md.mdp for silica(quartz)?

] Need help creating md.mdp for silica(quartz)? Message-ID: Content-Type: text/plain; charset=utf-8; format=flowed On 5/7/20 4:24 AM, Ekatherina O wrote: Hello Dr. Dallas Warren, Thank you for the suggestions. But this does not solve the problem of the movement of atoms of quartz layers (upper and