From: Sunhwan Jo (sunhwan_at_uchicago.edu)
Date: Fri Sep 06 2013 - 07:39:34 CDT
James
CHARMM-GUI generates step_assembly.xplor.psf, which can be used in NAMD. Perhaps this file is not displayed on webpage. You can download every file generated by GUI by using "download .tgz" link on the upper right corner of the webpage.
Sunhwan
Sent from my iPhone
On Sep 6, 2013, at 6:35 AM, "James Starlight" <jmsstarlight_at_gmail.com<mailto:jmsstarlight_at_gmail.com>> wrote:
Dear Namd Users!
I've already seen similar topic previously but didn't find any possible solution.
How I could use charm gui outputs to generate namd psf file of the generated membrane ? In my case charm gui generated 6 files
http://www.charmm-gui.org/?doc=input/membrane_only&time=1378378701
Equilibration Step1: step6.1_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.1_equilibration.inp>
Equilibration Step2: step6.2_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.2_equilibration.inp>
Equilibration Step3: step6.3_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.3_equilibration.inp>
Equilibration Step4: step6.4_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.4_equilibration.inp>
Equilibration Step5: step6.5_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.5_equilibration.inp>
Equilibration Step6: step6.6_equilibration.inp<http://www.charmm-gui.org/uploaded_pdb/1378378701/step6.6_equilibration.inp>
but how I can create psf from that data?
James
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