<html>
<head>
<style><!--
.hmmessage P
{
margin:0px;
padding:0px
}
body.hmmessage
{
font-size: 10pt;
font-family:Tahoma
}
--></style>
</head>
<body class='hmmessage'>
Hi,<br><br>Units are listed in the large table in the topology section of the pdf manual.<br>(hint: the energy unit everywhere in Gromacs is always kJ/mol and length always nm)<br><br>Berk<br><br><br>> Date: Tue, 5 Oct 2010 15:14:18 +0200<br>> From: apanczakiewicz@gmail.com<br>> To: gmx-users@gromacs.org<br>> Subject: [gmx-users] ffamber94 parameters<br>> <br>> Dear All,<br>> <br>> Do you know what is the unit of kb in ffamber94bon.itp file? I need to<br>> add some missing parameters for my system however I have them in<br>> kcal/mol and it seems that ffamber94 uses another units. For example:<br>> b0 kb<br>> C O2 1 0.12500 548940.8 ; 7,(1986),230; GLU,ASP<br>> //taken from ffamber94bon.itp<br>> C O2 1.250 656,0 (kcal/mol) //JCC, 7, 230, 1986<br>> <br>> Thank you in advcance for help!<br>> <br>> Regards,<br>> Artur<br>> -- <br>> gmx-users mailing list gmx-users@gromacs.org<br>> http://lists.gromacs.org/mailman/listinfo/gmx-users<br>> Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting!<br>> Please don't post (un)subscribe requests to the list. Use the <br>> www interface or send it to gmx-users-request@gromacs.org.<br>> Can't post? Read http://www.gromacs.org/Support/Mailing_Lists<br> </body>
</html>