Re: [gmx-users] Pro-lig under one molecule type

Ok, Thank you Sir. I am trying to check. On Thu, Feb 18, 2016 at 7:10 PM, Justin Lemkul wrote: > > > On 2/18/16 6:23 AM, Subhashree Rout wrote: > >> Thank you Sir for your suggestions. But sir I am simulating only protein >> in >> water where pdb2gmx itself gen

Re: [gmx-users] Potential energy of protein after energy minimization

t; Mark > > On Thu, Feb 18, 2016 at 10:39 AM Subhashree Rout < > subhashree.r...@kiitbiotech.ac.in> wrote: > > > Hii > > > > I am simulating protein (PfCDPK5) in water. After performing energy > > minimization, the potential energy of my protei

Re: [gmx-users] Pro-lig under one molecule type

ead http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Subhashree Rout PhD Scholar Bioinformatics Lab KIIT School of Biotec

[gmx-users] Potential energy of protein after energy minimization

pbc= xyz ; Periodic Boundary Conditions (yes/no) Kindly suggest where I am going wrong. -- Subhashree Rout PhD Scholar Bioinformatics Lab KIIT School of Biotechnology KIIT University Bhubaneswar Odisha INDIA Pin-751024 -- Gromacs Users mailing list * Please search the archive at h

[gmx-users] Problem in Potential energy of protein after energy minimization

pbc= xyz ; Periodic Boundary Conditions (yes/no) Kindly suggest where I am going wrong. -- Subhashree Rout PhD Scholar Bioinformatics Lab KIIT School of Biotechnology KIIT University Bhubaneswar Odisha INDIA Pin-751024 -- Gromacs Users mailing list * Please search the archive at h