<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt">Dear users,<br>I have got the following error when I run grompp:<br>Fatal error:<br>There were 2 errors in input file(s)<br>I would be glad if you help me.<br>Thank you very much.<br><br><div> </div>Jahanshah Ashkani,<br>PhD student of Biotechnology & Genetics,<br>University of the Western Cape,<br>Biotechnology Department,<br>Private Bag X17,<br>7735 Bellville,<br>Cape Town,<br>South Africa<br>jashkani@mail.biotech.uwc.ac.za<div style="font-family: times new roman,new york,times,serif; font-size: 12pt;"><br><br><div style="font-family: times new roman,new york,times,serif; font-size: 12pt;">----- Original Message ----<br>From: Florian Haberl <Florian.Haberl@chemie.uni-erlangen.de><br>To: Discussion list for GROMACS users <gmx-users@gromacs.org><br>Sent: Tuesday, November 6,
2007 7:46:26 PM<br>Subject: Re: [gmx-users] How can I add hydrogen?<br><br>
Hi,<br><br><br>On Tuesday, 6. November 2007 18:13, Eudes Fileti wrote:<br>> Dear gmx users<br>> I run a simulation of the liquid of acetonitrila (OPLS-UA) and I<br>> need of the configurations with explicit hydrogen atoms.<br>> Somebody could help me add the H atoms to configurations?<br>> eef<br><br><br>try<br><br>protonate -h<br><br><br><br>Greetings,<br><br>Florian<br><br>-- <br>-------------------------------------------------------------------------------<br> Florian Haberl <br> Computer-Chemie-Centrum <br> Universitaet Erlangen/ Nuernberg<br> Naegelsbachstr 25<br> D-91052 Erlangen<br> Telephone: +49(0) − 9131 − 85 26573<br> Mailto: florian.haberl AT <a target="_blank"
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