amber force field

From: divyabharathi korlepara (divyabharathik938_at_gmail.com)
Date: Tue Oct 06 2020 - 23:51:49 CDT

• Next message: 辛志宏: "Transition State Search BY NAMD"
• Previous message: Chythra J N: "COLVARs for Cremer-Pople puckering parameters in NAMD Metadynamics"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

Dear NAMD users,
            I tried generating (pdb+psf) for protein using amber force
field using psfgen.
            I took amber force field parameters from charmm web page (In
non_charmm) folder.
            When I am trying to solvate the generated (pdb+psf) using the
solvate command it is giving me the same error message in TK console

*psfgen) error reading atoms from psf fileMOLECULE DESTROYED BY FATAL
ERROR! Use resetpsf to start over.*

Can anyone tell me what was the mistake I am doing here?

Thanks,
Divya.
Dr. Divya Bharathi,
Post Doctoral Fellow,
IIIT
Hyderabad-500032.
INDIA.

• Next message: 辛志宏: "Transition State Search BY NAMD"
• Previous message: Chythra J N: "COLVARs for Cremer-Pople puckering parameters in NAMD Metadynamics"
• Messages sorted by: [ date ] [ thread ] [ subject ] [ author ] [ attachment ]

This archive was generated by hypermail 2.1.6 : Fri Dec 31 2021 - 23:17:10 CST