Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 118

> > On 5/31/18 10:54 AM, nik...@tezu.ernet.in wrote: >> Hello, >> >> Can anyone provide me with the correct topolgy file for >> Adenosine-5'-Monophosphate(AMP). > > AMP is part of the CHARMM36 force field. Generate the topology with > pdb2gmx. > > http://mackerell.umaryland.edu/charmm_ff.shtml#gr

[gmx-users] AMP_itp

Hello, Can anyone provide me with the correct topolgy file for Adenosine-5'-Monophosphate(AMP). Thanks Nikita Bora * * * D I S C L A I M E R * * * This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named addressee you should not

[gmx-users] (no subject)

Hello, Can anyone provide me the topology for Adenosine Monophosphate Molecule (AMP)for Gromacs (gromos54a7 forcefield). Thanks Nikita Bora * * * D I S C L A I M E R * * * This e-mail may contain privileged information and is intended solely for the individual named. If you are not the named

Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 96

> Send gromacs.org_gmx-users mailing list submissions to > gromacs.org_gmx-users@maillist.sys.kth.se > > To subscribe or unsubscribe via the World Wide Web, visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > or, via email, send a message with subject or body 'h

Re: [gmx-users] gromacs.org_gmx-users Digest, Vol 169, Issue 89

> Message: 1 > Date: Thu, 24 May 2018 17:31:00 +0530 > From: nik...@tezu.ernet.in > To: gromacs.org_gmx-users@maillist.sys.kth.se > Subject: [gmx-users] AMP_simulation > Message-ID: > <6be73c5ff3ffc470d178638a18b6e33f.squir...@webmail.tezu.ernet.in> > Content-Type: text/plain;charset=utf-8 >

[gmx-users] AMP_simulation

Hello, I have tried doing the Molecular dynamics simulation of AMP using the Gromos54a7 forcefield. ITP parameters for the AMP molecule has been generated using the ATB builder. Minimization of the molecule goes on well however while carrying out the Nvt theres a segmantation fault resulting in s