@Justin, thank you Justin. I will give it a try then. @Miro, sure,
I will look into it, thank you. - Yogesh On Fri, 31 Jan 2020 20:24:36 +0530
Miro Astore wrote Would topotools in vmd not work
in this context? I haven't used it but readabout it recently a
Would topotools in vmd not work in this context? I haven't used it but read
about it recently and it would seem this is the use case. Of course you
also need parameters. Wondering.
Best, Miro
Le sam. 1 févr. 2020 à 00:55, Justin Lemkul a écrit :
>
>
> On 1/31/20 8:25 AM, atb files wrote:
> >
>
On 1/31/20 8:25 AM, atb files wrote:
The files are given on the following server:https://terpconnect.umd.edu/~jbklauda/memb.htmlThey have simulated systems using NAMD.
If the individual topologies are not available anywhere, just a PSF,
then you will have to
The files are given on the following
server:https://terpconnect.umd.edu/~jbklauda/memb.htmlThey have simulated
systems using NAMD. -Yogesh On Thu, 30 Jan 2020 19:45:16 +0530 Justin
Lemkul wrote On 1/28/20 3:35 AM, atb files wrote: >
> >
On 1/28/20 3:35 AM, atb files wrote:
@Justin: the lipid is not yet added to the charmm directory. Any script?
How did you produce the original PSF?
-Justin
--
==
Justin A. Lemkul, Ph.D.
Assistant Professor
O
@Justin: the lipid is not yet added to the charmm directory. Any
script?@Michele: pdb2gmx only works for proteins.-YogeshSent using Zoho
Mail On Mon, 27 Jan 2020 19:34:34 +0530 Justin Lemkul
wrote On 1/27/20 4:51 AM, atb files wrote:> >>
On 1/27/20 4:51 AM, atb files wrote:
Hello users,I have .pdb, .psf and .crd file for one system. How to use them (convert to itp) in Gromacs? Thanks. YogesgSent using Zoho Mail
Prepare the system with CHARMM-GUI and it will give you all t
Hi,
have you tried gmx pdb2gmx -f ?
Michele
From: gromacs.org_gmx-users-boun...@maillist.sys.kth.se
on behalf of atb files
Sent: 27 January 2020 10:51
To: gromacs.org_gmx-users
Subject: [gmx-users] Charmm to Gromacs itps
Hello users,I
Hello users,I have .pdb, .psf and .crd file for one system. How to
use them (convert to itp) in Gromacs? Thanks. YogesgSent using Zoho Mail
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