From: Geist, Norman (norman.geist_at_uni-greifswald.de)
Date: Mon Aug 29 2022 - 06:11:32 CDT
If you really wanna change Molecule.c you'd have to recompile NAMD
from source. This isn't usually as difficult given a comprehensive
description in "notes.txt" shipped with the NAMD source code.
Bests
Norman Geist
Am Montag, den 29-08-2022 um 12:59 schrieb zeynab hosseini:
Dear all,
I want to rigidify all covalent bonds in a Silicon Carbide (SiC)
nanotube.
I'm following the suggestion below which is used for MARTINI
simulation in NAMD. I wonder if this suggestion can work in my case
which includes 4 bonds for each atom to rigidify.
https://urldefense.com/v3/__http://jeffcomer.us/downloads.html__;!!DZ3fjg!-bBzkn6JB71VoExlylMqXrbvQKpROZk9Wsat-7SkzC8TsaVD8SIK6QgeWbCEnFY4sPCq0J1DN3Uks7KtKYlJ0WlFbTjOkMNVrQ$ [1]
Maybe stupid questien as I'm not familiar with the source code stuffs:
I found "Molecule.C" file in the NAMD source code. I wonder after
modifying the Molecule.C I have to compile the source code to get it
to work? Since I always used to install the compiled version of NAMD.
All the best,
Zeynab
Links:
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[1]
https://urldefense.com/v3/__http://jeffcomer.us/downloads.html__;!!DZ3fjg!_jyIpnZoICdzrlUpkVJpWAJ97P95kFKbHDOmdZQwIWC-j1yLM12y7z2rcycrLeRtdcH4SSlE4q__k4zA5HgW6sMM_dWM$
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