Hi Not sure why ACE didn't work, but if you change the nomenclature of HIS to HSD it should work. However, if it's getting too troublesome, you can always use CHARMM-GUI online server for input generation.
See if it helps. Arunabh Get Outlook for Android<https://aka.ms/AAb9ysg> ________________________________ From: CCP4 bulletin board <[email protected]> on behalf of David A Case <[email protected]> Sent: Friday, May 21, 2021 5:57:08 PM To: [email protected] <[email protected]> Subject: Re: [ccp4bb] Does anyone know of a "CHARMM bulletin board" ? External Email On Fri, May 21, 2021, Fred Vellieux wrote: > >CHARMM bulletin board similar to CCP4BB ? The discussion site is called a "forum" in CHARMM-lingo. Try visiting https://www.charmm.org/. Note also the CHARMM-GUI (under Tools), which can be of considerable help in setting up a system. ...dac ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB<http://www.jiscmail.ac.uk/CCP4BB>, a mailing list hosted by www.jiscmail.ac.uk<http://www.jiscmail.ac.uk>, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/ ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
