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CHARMM-GUI Jump to new posts
Re: Error: Unsupported lipid type (PSPE) & (SAPC) rmv 08/05/22 03:10 PM
Questions about charmm-gui are best directed to the Contact page on their site. They have not been answering questions here for quite some time.

Your duplicate post was deleted, per forum guidelines.
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Energy terms, Constraints, Restraints, and Solvation Jump to new posts
Re: How to use CMAP terms in MD simulation rmv 08/05/22 03:08 PM
PRINT PSF or PRINT PARAM USED may be useful for this
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Setup, I/O, and Basic questions Jump to new posts
Re: Error: Unsupported lipid type (PSPE) & (SAPC) rmv 08/05/22 03:04 PM
Questions about charmm-gui are best directed to the Contact page on their site. There is a forum here for charmm-gui, but they have not been answering questions in it for quite some time.
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Energy terms, Constraints, Restraints, and Solvation Jump to new posts
Re: How to use CMAP terms in MD simulation D.A 08/05/22 08:42 AM
Hi , is it possible to enumarte the cmap in a given system ?

the information is it profited by "print ic "?


regard david
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CHARMM-GUI Jump to new posts
Error: Unsupported lipid type (PSPE) & (SAPC) shreya 08/04/22 04:42 PM
I am receiving an error in the last step of my membrane builder saying "Error: Unsupported lipid type". I have this error occurring with a few of my systems with different lipids, PSPE and SAPC. I am mimicking the ER membrane found in the Charmm Gui Archived. I was wondering if there was a way to get around this error?

Thank you,
Shreya
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Setup, I/O, and Basic questions Jump to new posts
Error: Unsupported lipid type (PSPE) & (SAPC) shreya 08/04/22 03:45 PM
Hello,

I am receiving an error in the last step of my membrane builder saying "Error: Unsupported lipid type". I have this error occurring with a few of my systems with different lipids, PSPE and SAPC. I am mimicking the ER membrane found in the Charmm Gui Archived. I was wondering if there was a way to get around this error?

Thank you,
Shreya
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CHARMM-GUI Jump to new posts
Re: Error infinite loop with ion channel in membrane rmv 07/18/22 06:21 PM
I should note that the charmm-gui folks tend not to answer questions here any more; they do have a Contact form on their site.

The image does not seem to be available.

I looked at PDB file, but did not see any cholesterol. The pinwheel shape of the protein and the extended chains that stick out in several places may make it difficult to pack into a membrane of pure cholesterol, and I expect the membrane builder may have be having a hard time placing cholesterol in a way that avoids ring impalement.
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CHARMM-GUI Jump to new posts
Error infinite loop with ion channel in membrane kong 07/17/22 07:51 PM
I have attached an image of the ion channel I have embedded in a membrane of only cholesterol using Martini Maker (martini22). I keep running into the following error:
"The bilayer generation is stopped to prevent an infinite loop. Please refresh the browser to restart the bilayer generation with different random seed."

When I refresh the browser, it brings me back to the initial screen and I have to restart the process. I have increased the XY length from 220 to 250 to 275 (# of total lipids increasing from 770 to 1321 to 2030 lipids in the upper leaflet). I am not sure what else I can do to get around this error and would appreciate any advice. I am not sure if the error is really related to my initial pdb file (I have attached the pdb file that I obtain after CHARMM-GUI processes it).

Thank you.
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