From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of João Henriques
<joao.henriques.32...@gmail.com>
Sent: Friday, April 08, 2016 8:24 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] REMD of IDPs
One
;
>
> From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se <
> gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of João
> Henriques <joao.henriques.32...@gmail.com>
> Sent: Friday, April 08, 2016 3:51 AM
> To: Dis
rs-boun...@maillist.sys.kth.se
<gromacs.org_gmx-users-boun...@maillist.sys.kth.se> on behalf of João Henriques
<joao.henriques.32...@gmail.com>
Sent: Friday, April 08, 2016 3:51 AM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] REMD of IDPs
Dear Yanhua,
To m
Dear Yanhua,
To my knowledge (prior to gromacs 5.X at least), there are no gromacs
tools able to turn a sequence into a PDB. The user must take care of that
pre-processing on his/her own. I work with IDPs quite a lot, so what I can
tell you is what I usually do. I take my fasta sequence and use
Hi, I have a sequence of an intrinsically disordered protein, I have no idea
how to start my REMD with gromacs. e.g. how to convert my sequence into a pdb
file
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