[AMBER] failed to minimize after solvation from glycam web

From: BILASH MAITY via AMBER <amber.ambermd.org>
Date: Fri, 16 Feb 2024 16:16:27 +0530 (IST)

Respected amber community,
         I have prepared a system both in vacuum and solvated in water using amber force field in GLYCAM web builder. I am using the amber force field in NAMD 2.10 package to minimize the both system. In case of vacuum it is working properly, but in solvated system it is showing "Unexpected EOF in prmtop file". I have also tried the another versions of NAMD(2.10,2.12,2.5,2.8) to minimize the solvated system. But only the NAMD 2.5 version is working while others are showing the same error. I want to use the NAMD 2.10 version to minimize and equilibrate the solvated system.
Can anyone predict the probable reason for this error, and suggest some way to figure this out.

Thanking You,
Bilash Maity

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Feb 16 2024 - 03:00:02 PST
Custom Search