Dear users, I have got the following error when I run grompp: Fatal error: There were 2 errors in input file(s) I would be glad if you help me. Thank you very much.
Jahanshah Ashkani, PhD student of Biotechnology & Genetics, University of the Western Cape, Biotechnology Department, Private Bag X17, 7735 Bellville, Cape Town, South Africa [EMAIL PROTECTED] ----- Original Message ---- From: Florian Haberl <[EMAIL PROTECTED]> To: Discussion list for GROMACS users <[email protected]> Sent: Tuesday, November 6, 2007 7:46:26 PM Subject: Re: [gmx-users] How can I add hydrogen? Hi, On Tuesday, 6. November 2007 18:13, Eudes Fileti wrote: > Dear gmx users > I run a simulation of the liquid of acetonitrila (OPLS-UA) and I > need of the configurations with explicit hydrogen atoms. > Somebody could help me add the H atoms to configurations? > eef try protonate -h Greetings, Florian -- ------------------------------------------------------------------------------- Florian Haberl Computer-Chemie-Centrum Universitaet Erlangen/ Nuernberg Naegelsbachstr 25 D-91052 Erlangen Telephone: +49(0) − 9131 − 85 26573 Mailto: florian.haberl AT chemie.uni-erlangen.de ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com
_______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
