AMBER Archive (2009)
Subject: [AMBER] How to strip water for MM/GBSA calculations?
From: Catein Catherine (askamber23_at_hotmail.com)
Could you mind to let me know if it is necessary to strip water from the mdcrd files before extracting snapshot for MM/GBSA calculation? If yes, could you mind to let me know if it is the correct ptraj file to be use?
> trajin xxx.mdcrd
Best regards & many thanks in advanced,