Re: [gmx-users] Query regarding the addition of solvent molecule

2014-09-11 Thread Christina Florina
the screenshot of the error page in the link below. https://www.dropbox.com/sh/vkvsr3u2hmh2ft9/AABxNv6VxA1gbSs7h2gkaIfxa?dl=0 Thank you. On Tue, Sep 9, 2014 at 9:22 PM, Justin Lemkul jalem...@vt.edu wrote: On 9/9/14 9:41 AM, Christina Florina wrote: Hi, Thank you for the suggestions. I

Re: [gmx-users] Query regarding the addition of solvent molecule

2014-09-09 Thread Christina Florina
file for a solvent and to resolve the issue. On Tue, Sep 9, 2014 at 3:38 PM, Justin Lemkul jalem...@vt.edu wrote: On 9/9/14 12:51 AM, Christina Florina wrote: Hi, I have included the link to my dropbox where I have attached my gromacs topology files. Though I have included

Re: [gmx-users] Query regarding the addition of solvent molecule

2014-09-09 Thread Christina Florina
of the directories to resolve this error? Kindly need help. https://www.dropbox.com/sh/vkvsr3u2hmh2ft9/AABxNv6VxA1gbSs7h2gkaIfxa?dl=0 On Tue, Sep 9, 2014 at 4:59 PM, Justin Lemkul jalem...@vt.edu wrote: On 9/9/14 7:09 AM, Christina Florina wrote: Hi, Thanks for your suggestions

Re: [gmx-users] Query regarding the addition of solvent molecule

2014-09-08 Thread Christina Florina
://www.dropbox.com/sh/vkvsr3u2hmh2ft9/AABxNv6VxA1gbSs7h2gkaIfxa?dl=0 On Fri, Sep 5, 2014 at 5:25 PM, Justin Lemkul jalem...@vt.edu wrote: On 9/5/14, 7:10 AM, Christina Florina wrote: Hi, I have included the chx.itp file in the protein.top file already. Checked with the molecule name (CHX

Re: [gmx-users] Query regarding the addition of solvent molecule

2014-09-05 Thread Christina Florina
:37 PM, Justin Lemkul jalem...@vt.edu wrote: On 9/5/14, 2:50 AM, Christina Florina wrote: Hi, I have just started my work in MD and using Gromacs 5.0. I need to use cyclohexane as my solvent instead of water. I generated the topology file, .itp and .gro using PRODRG. I have