VMD-L Mailing List

From: René Hafner TUK (hamburge_at_physik.uni-kl.de)
Date: Wed May 27 2020 - 01:34:51 CDT

Alright thank you. Then I just write a small script for that.

Best

René

On 5/26/2020 8:29 PM, Gumbart, JC wrote:
> Honestly, the reason is that it would be a full-time job
> in-and-of-itself keeping track of all the external dependencies for
> something as complicated as VMD.
>
> For your purpose, it would be fine to just use QwikMD as-is. CHARMM36m
> has the exact same topology as CHARMM36, so you will only need to
> modify your NAMD configuration files before running to point to the
> new parameter file.
>
> Best,
> JC
> ------------------------------------------------------------------------
> *From:* owner-vmd-l_at_ks.uiuc.edu <owner-vmd-l_at_ks.uiuc.edu> on behalf of
> René Hafner TUK <hamburge_at_physik.uni-kl.de>
> *Sent:* Tuesday, May 26, 2020 7:48 AM
> *To:* vmd-l_at_ks.uiuc.edu <vmd-l_at_ks.uiuc.edu>
> *Subject:* vmd-l: VMD charmm paramters files: par_all36m_prot.prm
> Hi all,
>
> is there a specific reason why the modified version of
> `par_all36_prot.prm`
>
> from 2016 naming `par_all36*m*_prot.prm` is not present in any vmd
> plugin dir?
>
> (https://www.charmm.org/charmm/resources/charmm-force-fields/#charmm
> <https://urldefense.proofpoint.com/v2/url?u=https-3A__www.charmm.org_charmm_resources_charmm-2Dforce-2Dfields_-23charmm&d=DwMDaQ&c=OCIEmEwdEq_aNlsP4fF3gFqSN-E3mlr2t9JcDdfOZag&r=JBqQLS7jZ5whrB0hXJY8MNYcfDrh8UhlGJ2ANxoi8s0&m=8rDO2coyLR1RIcjAZdUfZq13y3mhfkM8Aec93Ld9mJw&s=s05rz_AHYw7UtSVSxE3TsX8mqvdD8XXBA9r0lmb6yV0&e=>)
>
>
> I would like to setup a new protein system with QwikMD using this one
> and ask before wasting time adapting any tcl code.
>
>
> Kind regards
>
> René
> 

-- 
--
Dipl.-Phys. René Hafner
TU Kaiserslautern
Germany